#------------------------------------------------------------------------------ #$Date: 2018-10-19 05:28:22 +0300 (Fri, 19 Oct 2018) $ #$Revision: 211540 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/12/2021271.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2021271 loop_ _publ_author_name 'Duan, Fengxue' 'Liu, Xiaoting' 'Xu, Wei' 'Tao, Yanchun' 'Li, Bao' 'Wu, Lixin' _publ_section_title ; Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids ; _journal_coeditor_code JR3004 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first ; ; _journal_paper_doi 10.1107/S2053229618012548 _journal_volume 74 _journal_year 2018 _chemical_formula_iupac '(C5 H7 N2)4 [Mo8 O26]' _chemical_formula_moiety '4(C5 H7 N2 +), Mo8 O26 4-' _chemical_formula_sum 'C20 H28 Mo8 N8 O26' _chemical_formula_weight 1564.02 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 65.3560(10) _cell_angle_beta 69.6580(10) _cell_angle_gamma 77.9220(10) _cell_formula_units_Z 1 _cell_length_a 10.4179(3) _cell_length_b 10.5225(4) _cell_length_c 10.5988(4) _cell_measurement_reflns_used 9786 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.46 _cell_measurement_theta_min 3.10 _cell_volume 987.36(6) _computing_cell_refinement ; SAINT (Bruker, 2013) ; _computing_data_collection ; APEX2 (Bruker, 2013) ; _computing_data_reduction ; SAINT (Bruker, 2013) ; _computing_molecular_graphics ; SHELXTL (Sheldrick, 2008) ; _computing_publication_material ; SHELXTL (Sheldrick, 2008) ; _computing_structure_refinement ; SHELXL2014 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'D8 VENTURE PHOTON II' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0209 _diffrn_reflns_av_unetI/netI 0.0132 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 31614 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.488 _diffrn_reflns_theta_min 2.874 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 2.557 _exptl_absorpt_correction_T_max 0.766 _exptl_absorpt_correction_T_min 0.716 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2013) ; _exptl_crystal_colour light-yellow _exptl_crystal_density_diffrn 2.630 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 748 _exptl_crystal_size_max 0.140 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.110 _refine_diff_density_max 0.800 _refine_diff_density_min -0.595 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.968 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 280 _refine_ls_number_reflns 4525 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.968 _refine_ls_R_factor_all 0.0240 _refine_ls_R_factor_gt 0.0210 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+2.4139P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0638 _refine_ls_wR_factor_ref 0.0668 _reflns_number_gt 4143 _reflns_number_total 4525 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jr3004sup1.cif _cod_data_source_block compound_I _cod_database_code 2021271 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.716 _shelx_estimated_absorpt_t_max 0.766 _shelx_hkl_file ; -2 0 0 53.19 1.90 -2 0 0 55.89 1.40 -2 0 0 54.49 1.80 -2 0 0 54.09 2.00 -2 0 0 54.79 1.60 -2 0 0 54.09 2.10 2 0 0 52.09 1.80 2 0 0 52.99 2.00 2 0 0 53.09 2.10 2 0 0 52.69 1.40 2 0 0 52.99 1.40 2 0 0 53.89 1.60 2 0 0 53.09 2.00 -3 0 0 2546.25 48.20 -3 0 0 2567.84 48.50 -3 0 0 2518.45 48.10 -3 0 0 2580.44 46.80 -3 0 0 2565.14 47.80 -3 0 0 2606.44 47.20 3 0 0 2460.85 46.90 3 0 0 2547.95 48.10 3 0 0 2585.64 47.20 3 0 0 2585.04 48.00 3 0 0 2542.15 46.80 3 0 0 2526.65 48.10 -4 0 0 712.93 13.70 -4 0 0 723.03 14.30 -4 0 0 699.23 15.50 -4 0 0 718.03 15.90 -4 0 0 706.53 15.60 4 0 0 711.43 15.20 4 0 0 690.33 15.80 4 0 0 721.83 15.50 4 0 0 740.23 14.40 4 0 0 694.13 14.00 4 0 0 720.53 13.90 4 0 0 715.93 15.10 4 0 0 692.73 15.40 -5 0 0 1.70 0.70 -5 0 0 2.20 0.40 -5 0 0 2.30 0.70 -5 0 0 2.20 0.80 -5 0 0 2.20 0.50 -5 0 0 2.10 0.50 5 0 0 2.90 0.80 5 0 0 2.80 0.80 5 0 0 1.80 0.40 5 0 0 1.50 0.50 5 0 0 1.80 0.40 5 0 0 1.70 0.50 -6 0 0 4.50 1.10 -6 0 0 3.90 1.00 -6 0 0 7.00 1.00 -6 0 0 7.00 0.70 -6 0 0 6.10 0.70 -6 0 0 5.30 1.30 6 0 0 7.80 0.70 6 0 0 4.80 1.20 6 0 0 10.20 1.70 6 0 0 6.40 1.00 6 0 0 6.90 0.90 6 0 0 4.80 1.10 6 0 0 7.40 0.80 -7 0 0 54.59 3.60 -7 0 0 46.10 3.40 7 0 0 42.80 1.70 7 0 0 43.70 3.10 7 0 0 44.40 2.50 7 0 0 42.70 3.00 7 0 0 41.50 2.00 7 0 0 46.50 2.10 7 0 0 44.00 3.40 -8 0 0 2.30 1.00 -8 0 0 2.10 1.10 8 0 0 2.80 1.00 8 0 0 2.40 0.60 8 0 0 0.90 1.00 8 0 0 1.50 1.00 8 0 0 1.60 0.90 8 0 0 1.70 0.60 -9 0 0 36.00 3.40 -9 0 0 34.40 3.60 9 0 0 31.60 1.80 9 0 0 34.60 3.20 9 0 0 26.50 3.10 9 0 0 28.00 3.60 9 0 0 34.20 1.90 -10 0 0 -0.50 1.00 -10 0 0 -0.30 1.00 10 0 0 1.00 0.60 10 0 0 -0.60 0.80 10 0 0 1.60 1.10 10 0 0 1.30 0.90 -11 0 0 205.58 10.00 -11 0 0 207.28 9.80 11 0 0 205.18 7.30 -12 0 0 228.38 10.50 -12 0 0 223.38 10.90 12 0 0 237.88 8.20 12 0 0 237.08 10.20 12 -1 0 138.39 6.30 12 -1 0 136.99 7.50 -12 1 0 134.49 8.40 -12 1 0 136.99 8.00 11 -1 0 63.59 4.10 11 -1 0 64.09 5.10 -11 1 0 57.19 6.10 -11 1 0 62.49 5.40 10 -1 0 3.20 1.60 10 -1 0 2.30 1.10 -10 1 0 3.60 1.40 -10 1 0 0.80 1.20 9 -1 0 29.40 4.70 9 -1 0 27.90 2.80 9 -1 0 26.20 3.50 -9 1 0 32.00 3.30 -9 1 0 33.30 3.70 -9 1 0 32.20 3.60 8 -1 0 75.19 2.60 8 -1 0 79.59 3.80 8 -1 0 70.29 4.40 8 -1 0 73.39 4.90 8 -1 0 74.99 2.50 8 -1 0 74.99 4.40 8 -1 0 76.29 2.70 8 -1 0 74.79 4.50 -8 1 0 76.19 4.90 -8 1 0 76.09 5.10 -8 1 0 70.89 4.50 7 -1 0 29.30 1.60 7 -1 0 28.30 2.60 7 -1 0 29.50 1.50 7 -1 0 26.70 2.80 7 -1 0 31.10 2.30 7 -1 0 29.60 2.70 7 -1 0 26.80 1.40 7 -1 0 28.40 2.70 -7 1 0 27.20 2.90 -7 1 0 28.20 2.80 -7 1 0 27.50 2.70 6 -1 0 9.80 1.70 6 -1 0 7.60 1.50 6 -1 0 8.90 0.90 6 -1 0 5.80 1.00 6 -1 0 9.20 0.80 6 -1 0 5.60 1.20 6 -1 0 9.10 0.80 6 -1 0 7.00 1.30 -6 1 0 9.10 2.10 -6 1 0 10.40 1.80 5 -1 0 22.10 1.60 5 -1 0 23.30 2.80 5 -1 0 25.00 1.10 5 -1 0 24.10 2.00 5 -1 0 28.00 2.90 5 -1 0 26.50 2.10 5 -1 0 26.30 1.20 5 -1 0 25.70 1.30 -5 1 0 23.20 2.10 -5 1 0 24.60 2.00 -5 1 0 23.20 2.20 4 -1 0 632.44 14.10 4 -1 0 635.64 14.20 4 -1 0 635.74 14.60 4 -1 0 629.84 12.70 4 -1 0 642.74 13.90 4 -1 0 629.14 12.30 4 -1 0 638.14 12.30 4 -1 0 642.04 14.10 4 -1 0 637.44 13.30 -4 1 0 631.34 14.20 -4 1 0 625.54 14.70 -4 1 0 636.94 14.20 -4 1 0 640.74 13.30 3 -1 0 248.68 6.40 3 -1 0 248.98 6.40 3 -1 0 245.08 5.90 3 -1 0 234.68 6.60 3 -1 0 245.38 6.20 3 -1 0 243.98 6.30 3 -1 0 251.07 5.10 3 -1 0 246.08 5.10 3 -1 0 249.97 5.50 -3 1 0 251.47 5.90 -3 1 0 247.48 5.00 -3 1 0 251.07 6.40 -3 1 0 251.97 6.40 2 -1 0 524.35 11.10 2 -1 0 520.35 10.90 2 -1 0 545.55 10.10 2 -1 0 527.15 10.40 2 -1 0 516.05 11.10 2 -1 0 518.85 11.40 2 -1 0 527.55 10.10 2 -1 0 537.15 11.00 2 -1 0 538.05 10.80 -2 1 0 542.95 10.80 -2 1 0 535.05 11.00 -2 1 0 514.95 11.40 -2 1 0 533.75 10.90 -2 1 0 539.15 10.00 -2 1 0 547.05 11.10 -2 1 0 531.05 10.50 1 -1 0 1441.16 26.30 1 -1 0 1371.66 26.40 1 -1 0 1432.36 26.80 1 -1 0 1397.86 26.60 -1 1 0 1415.86 26.90 -1 1 0 1426.16 26.20 -1 1 0 1379.56 25.90 -1 1 0 1402.36 26.30 -1 -1 0 1210.58 24.00 -1 -1 0 1340.77 24.40 -2 -1 0 411.36 8.40 -2 -1 0 415.96 8.80 -2 -1 0 409.26 8.40 -2 -1 0 420.26 8.20 -2 -1 0 416.16 8.30 2 1 0 420.26 8.10 2 1 0 420.66 8.20 2 1 0 427.66 8.40 2 1 0 419.36 8.80 2 1 0 404.96 8.30 2 1 0 410.36 8.40 -3 -1 0 2442.96 45.60 -3 -1 0 2481.25 45.10 -3 -1 0 2437.06 45.30 -3 -1 0 2457.75 46.40 -3 -1 0 2457.55 45.40 3 1 0 2419.76 46.30 3 1 0 2401.16 45.60 3 1 0 2502.85 46.80 3 1 0 2498.35 45.00 3 1 0 2435.86 45.30 3 1 0 2428.96 45.40 3 1 0 2453.65 45.20 -4 -1 0 1645.24 30.30 -4 -1 0 1616.74 32.20 -4 -1 0 1622.44 31.00 -4 -1 0 1600.44 30.30 -4 -1 0 1598.64 31.90 -4 -1 0 1581.04 30.40 4 1 0 1580.44 30.30 4 1 0 1660.73 32.40 4 1 0 1579.04 30.40 4 1 0 1594.74 31.00 4 1 0 1615.84 30.50 4 1 0 1649.83 30.00 4 1 0 1607.34 31.80 -5 -1 0 177.78 4.50 -5 -1 0 177.68 6.10 -5 -1 0 178.98 5.90 -5 -1 0 179.48 4.50 -5 -1 0 175.08 4.60 5 1 0 177.18 4.70 5 1 0 179.78 5.30 5 1 0 174.88 4.60 5 1 0 190.38 4.70 5 1 0 181.18 4.20 5 1 0 180.28 6.20 -6 -1 0 1.60 0.40 -6 -1 0 0.80 0.40 -6 -1 0 0.20 0.30 6 1 0 0.20 0.40 6 1 0 0.60 0.30 6 1 0 0.60 0.40 6 1 0 0.90 0.70 6 1 0 0.10 0.30 6 1 0 0.20 0.40 6 1 0 -0.20 0.40 -7 -1 0 94.29 3.30 -7 -1 0 94.29 4.90 -7 -1 0 90.79 4.80 7 1 0 95.79 4.30 7 1 0 94.89 3.40 7 1 0 90.09 4.60 7 1 0 96.79 5.10 7 1 0 94.49 3.60 7 1 0 96.49 4.60 -8 -1 0 1.50 0.50 -8 -1 0 0.90 0.50 -8 -1 0 3.50 1.10 -8 -1 0 1.20 0.80 8 1 0 0.50 0.80 8 1 0 0.40 0.70 8 1 0 1.90 0.70 8 1 0 -0.50 0.70 -9 -1 0 0.80 0.80 -9 -1 0 0.10 1.10 9 1 0 1.10 0.90 9 1 0 1.50 0.80 9 1 0 -1.00 0.60 9 1 0 -1.00 0.60 9 1 0 0.20 0.50 9 1 0 -0.40 1.00 -10 -1 0 18.80 3.10 -10 -1 0 21.30 3.20 10 1 0 18.40 3.40 10 1 0 20.50 2.40 10 1 0 23.00 2.40 10 1 0 22.50 1.90 10 1 0 24.30 3.10 -11 -1 0 126.19 10.00 -11 -1 0 110.39 7.10 11 1 0 109.09 4.00 11 1 0 116.09 6.70 11 1 0 116.59 5.10 11 1 0 107.69 6.50 11 1 0 107.19 4.20 -12 -1 0 79.99 6.40 -12 -1 0 76.99 6.10 12 1 0 78.09 3.10 12 1 0 70.89 5.80 12 1 0 76.89 4.30 12 1 0 69.89 3.20 12 -2 0 22.90 3.30 12 -2 0 26.50 3.70 -12 2 0 28.00 4.40 11 -2 0 1.30 1.10 11 -2 0 -0.50 1.00 -11 2 0 3.40 1.70 10 -2 0 135.79 6.10 -10 2 0 139.69 8.70 -10 2 0 126.79 10.10 9 -2 0 -0.20 1.40 9 -2 0 0.00 0.40 9 -2 0 -0.50 0.90 9 -2 0 -0.50 0.90 -9 2 0 0.70 1.00 -9 2 0 -1.50 0.80 -9 2 0 1.30 1.10 8 -2 0 0.50 1.10 8 -2 0 0.80 0.80 8 -2 0 1.30 0.50 8 -2 0 0.90 0.90 8 -2 0 -0.20 0.90 -8 2 0 0.20 0.80 -8 2 0 0.90 1.00 -8 2 0 2.80 1.30 7 -2 0 14.20 2.30 7 -2 0 12.80 2.00 7 -2 0 12.70 2.00 7 -2 0 16.10 1.40 7 -2 0 15.60 1.80 7 -2 0 16.50 2.20 -7 2 0 16.00 2.60 -7 2 0 13.30 2.20 -7 2 0 12.30 2.00 6 -2 0 58.49 2.50 6 -2 0 59.59 3.60 6 -2 0 54.49 3.20 6 -2 0 66.49 3.70 6 -2 0 63.39 2.20 6 -2 0 59.19 3.50 6 -2 0 61.39 3.90 6 -2 0 62.89 2.00 -6 2 0 58.19 3.60 -6 2 0 62.49 3.70 -6 2 0 58.39 3.90 5 -2 0 1.20 0.60 5 -2 0 1.90 0.40 5 -2 0 2.10 0.70 5 -2 0 3.00 0.90 5 -2 0 2.50 0.80 5 -2 0 2.20 0.80 -5 2 0 4.70 1.00 -5 2 0 3.20 0.90 4 -2 0 220.78 5.50 4 -2 0 214.58 6.50 4 -2 0 219.08 4.90 4 -2 0 222.58 6.00 4 -2 0 238.08 6.70 4 -2 0 220.68 4.90 4 -2 0 215.38 6.90 4 -2 0 218.58 6.40 4 -2 0 224.38 6.30 -4 2 0 226.58 4.80 -4 2 0 219.78 4.70 -4 2 0 219.48 5.70 -4 2 0 221.38 7.10 -4 2 0 219.68 6.40 3 -2 0 51.39 2.30 3 -2 0 54.19 2.10 3 -2 0 47.90 1.60 3 -2 0 60.69 2.40 3 -2 0 49.99 2.50 3 -2 0 49.20 2.30 3 -2 0 53.89 2.50 -3 2 0 49.40 1.50 -3 2 0 50.59 2.30 -3 2 0 51.09 2.70 -3 2 0 51.99 2.40 -3 2 0 51.29 2.10 2 -2 0 2324.47 43.40 2 -2 0 2291.67 43.20 2 -2 0 2275.77 43.30 2 -2 0 2358.56 43.30 2 -2 0 2314.77 42.60 2 -2 0 2251.67 42.60 -2 2 0 2328.17 43.30 -2 2 0 2316.17 43.30 -2 2 0 2305.87 42.50 -2 2 0 2393.36 44.40 -2 2 0 2350.46 43.30 -2 2 0 2221.98 42.50 1 -2 0 17.70 1.10 1 -2 0 15.30 0.80 1 -2 0 15.20 0.80 1 -2 0 18.50 0.90 1 -2 0 15.00 0.80 -1 2 0 16.00 0.80 -1 2 0 18.60 1.10 -1 2 0 18.90 0.90 -1 2 0 17.00 0.80 -1 2 0 14.50 0.90 -1 2 0 19.10 0.90 0 -2 0 748.03 14.50 0 -2 0 748.33 14.10 0 -2 0 737.13 14.70 0 2 0 729.43 14.40 0 2 0 734.63 14.70 0 2 0 756.42 14.10 0 2 0 754.42 14.50 -1 -2 0 3360.86 65.19 1 2 0 3196.08 64.89 -2 -2 0 3973.70 79.79 2 2 0 3972.50 81.49 -3 -2 0 99.19 3.00 -3 -2 0 100.29 2.70 -3 -2 0 101.39 3.10 -3 -2 0 103.19 3.40 -3 -2 0 100.19 3.00 3 2 0 97.99 3.40 3 2 0 101.49 2.80 3 2 0 101.29 3.10 3 2 0 100.99 3.10 -4 -2 0 36.20 1.60 -4 -2 0 32.90 2.00 -4 -2 0 29.80 1.60 -4 -2 0 29.70 1.60 4 2 0 34.20 1.70 4 2 0 30.40 2.00 4 2 0 32.00 1.40 4 2 0 33.00 1.70 4 2 0 32.50 1.60 -5 -2 0 315.47 7.50 -5 -2 0 330.67 7.70 -5 -2 0 315.57 7.60 -5 -2 0 313.47 8.70 -5 -2 0 324.07 9.40 5 2 0 313.07 7.80 5 2 0 325.07 8.70 5 2 0 313.17 7.60 5 2 0 326.27 9.30 5 2 0 316.17 7.00 5 2 0 317.57 7.60 -6 -2 0 150.78 4.40 -6 -2 0 148.59 5.70 -6 -2 0 147.59 3.90 -6 -2 0 153.38 6.10 -6 -2 0 143.99 4.60 6 2 0 147.79 4.60 6 2 0 152.08 6.10 6 2 0 140.09 4.80 6 2 0 146.99 3.80 6 2 0 146.19 4.50 6 2 0 143.59 4.20 -7 -2 0 53.99 3.80 -7 -2 0 49.70 2.50 -7 -2 0 51.99 3.60 -7 -2 0 51.59 2.40 7 2 0 47.60 2.50 7 2 0 58.29 3.90 7 2 0 48.80 2.60 7 2 0 46.90 3.40 7 2 0 47.20 3.40 7 2 0 49.40 2.50 7 2 0 49.20 1.90 -8 -2 0 7.90 1.20 -8 -2 0 7.00 1.10 -8 -2 0 5.40 1.30 8 2 0 8.60 1.30 8 2 0 7.30 1.30 8 2 0 5.10 1.70 8 2 0 5.90 1.30 8 2 0 4.90 1.20 8 2 0 4.30 1.10 -9 -2 0 9.00 1.90 -9 -2 0 12.00 1.50 9 2 0 13.20 1.70 9 2 0 13.80 2.50 9 2 0 19.80 3.00 9 2 0 14.30 2.20 9 2 0 13.70 1.80 9 2 0 14.50 2.50 -10 -2 0 35.10 4.00 -10 -2 0 30.70 3.70 -10 -2 0 30.70 2.10 10 2 0 38.10 2.50 10 2 0 29.70 3.30 10 2 0 30.50 2.50 10 2 0 32.60 3.80 -11 -2 0 11.40 3.20 -11 -2 0 8.00 2.10 11 2 0 7.50 1.80 11 2 0 8.70 2.00 11 2 0 9.30 1.60 11 2 0 10.10 1.70 -12 -2 0 -0.80 1.10 -12 -2 0 0.70 1.80 12 2 0 0.50 0.70 12 -3 0 -1.40 0.90 -12 3 0 -2.10 1.30 11 -3 0 104.79 5.80 -11 3 0 103.09 7.00 -11 3 0 101.19 7.50 10 -3 0 291.17 9.70 10 -3 0 283.27 7.60 -10 3 0 290.37 12.20 -10 3 0 280.67 13.20 9 -3 0 86.29 3.60 9 -3 0 88.69 5.30 9 -3 0 90.19 4.80 -9 3 0 91.29 6.20 -9 3 0 85.79 5.50 8 -3 0 0.60 1.00 8 -3 0 0.80 0.90 8 -3 0 1.80 0.70 8 -3 0 1.20 1.00 8 -3 0 2.00 1.10 -8 3 0 2.40 1.10 -8 3 0 1.30 1.20 7 -3 0 5.40 0.80 7 -3 0 3.50 0.70 7 -3 0 5.40 1.20 7 -3 0 6.40 1.50 7 -3 0 3.70 1.10 7 -3 0 3.70 1.10 7 -3 0 6.20 0.90 -7 3 0 1.90 1.10 -7 3 0 1.80 1.20 6 -3 0 40.30 1.80 6 -3 0 32.40 2.70 6 -3 0 36.50 3.00 6 -3 0 38.50 2.90 6 -3 0 37.80 1.70 6 -3 0 46.00 2.40 6 -3 0 39.80 3.00 -6 3 0 42.70 3.20 -6 3 0 39.40 3.00 5 -3 0 19.10 1.90 5 -3 0 18.00 1.90 5 -3 0 17.80 1.10 5 -3 0 18.20 1.20 5 -3 0 14.40 1.90 5 -3 0 18.50 2.30 5 -3 0 15.30 1.50 -5 3 0 19.70 1.60 -5 3 0 16.90 2.10 -5 3 0 18.60 1.00 -5 3 0 18.10 1.00 -5 3 0 18.90 2.00 -5 3 0 17.40 1.90 4 -3 0 1.30 0.40 4 -3 0 0.80 0.40 4 -3 0 0.90 0.50 4 -3 0 1.40 0.60 4 -3 0 1.10 0.40 4 -3 0 1.00 0.50 4 -3 0 1.10 0.30 4 -3 0 1.50 0.70 -4 3 0 0.80 0.50 -4 3 0 0.60 0.40 -4 3 0 1.50 0.70 -4 3 0 1.60 0.50 3 -3 0 2229.88 41.80 3 -3 0 2240.98 43.10 3 -3 0 2181.58 41.40 3 -3 0 2248.28 42.60 3 -3 0 2228.18 42.50 3 -3 0 2232.58 41.40 3 -3 0 2206.58 42.60 3 -3 0 2205.28 42.30 -3 3 0 2198.78 41.30 -3 3 0 2237.18 41.40 -3 3 0 2245.78 42.50 -3 3 0 2234.38 44.10 -3 3 0 2203.48 42.50 -3 3 0 2186.18 42.40 2 -3 0 1550.44 29.30 2 -3 0 1543.55 29.80 2 -3 0 1567.34 30.10 2 -3 0 1572.34 30.40 2 -3 0 1563.24 29.50 2 -3 0 1575.04 30.20 2 -3 0 1566.84 29.50 -2 3 0 1578.84 29.80 -2 3 0 1527.45 30.10 -2 3 0 1596.14 29.50 -2 3 0 1525.85 30.20 -2 3 0 1536.45 29.40 1 -3 0 172.18 4.40 1 -3 0 171.08 4.80 1 -3 0 172.28 4.00 1 -3 0 180.58 4.00 1 -3 0 175.58 4.40 -1 3 0 171.48 4.40 -1 3 0 171.08 4.50 -1 3 0 170.58 4.40 -1 3 0 174.38 4.10 -1 3 0 172.58 4.00 0 -3 0 326.77 7.30 0 -3 0 324.97 7.60 0 -3 0 320.37 6.80 0 -3 0 320.27 7.30 0 3 0 327.97 6.90 0 3 0 323.47 7.60 0 3 0 319.67 7.30 0 3 0 321.77 7.30 -1 -3 0 3578.04 66.09 -1 -3 0 3576.04 65.99 1 3 0 3535.55 65.99 1 3 0 3544.95 65.89 -2 -3 0 2154.98 40.20 -2 -3 0 2134.69 40.10 -2 -3 0 2116.59 40.20 -2 -3 0 2136.59 40.20 -2 -3 0 2150.68 39.50 2 3 0 2065.49 40.20 2 3 0 2112.49 40.00 2 3 0 2101.09 40.20 -3 -3 0 43.30 1.70 -3 -3 0 40.40 2.00 -3 -3 0 43.20 1.50 -3 -3 0 40.30 1.90 -3 -3 0 39.40 2.00 -3 -3 0 43.40 2.00 3 3 0 41.60 2.10 3 3 0 40.50 1.80 3 3 0 43.30 2.00 -4 -3 0 37.40 2.00 -4 -3 0 39.20 2.00 -4 -3 0 39.10 1.60 -4 -3 0 40.20 2.00 -4 -3 0 40.30 2.20 4 3 0 38.20 2.30 4 3 0 38.10 2.00 4 3 0 40.50 2.10 4 3 0 38.00 1.80 -5 -3 0 2318.67 44.70 -5 -3 0 2295.77 44.60 -5 -3 0 2335.77 44.00 -5 -3 0 2314.17 45.60 5 3 0 2428.86 47.80 5 3 0 2330.77 44.90 5 3 0 2347.77 44.80 5 3 0 2330.67 44.00 -6 -3 0 641.94 15.80 -6 -3 0 660.63 14.40 -6 -3 0 651.43 14.50 -6 -3 0 664.43 14.20 6 3 0 663.83 14.70 6 3 0 680.23 16.70 6 3 0 673.73 16.00 6 3 0 644.04 14.60 6 3 0 662.63 13.60 -7 -3 0 5.10 1.00 -7 -3 0 6.60 1.20 -7 -3 0 4.50 1.40 -7 -3 0 4.70 1.20 7 3 0 5.40 1.00 7 3 0 3.10 1.00 7 3 0 3.80 1.10 7 3 0 5.30 0.90 7 3 0 4.80 1.00 7 3 0 4.60 0.90 -8 -3 0 39.00 2.40 -8 -3 0 40.30 3.80 -8 -3 0 42.00 3.50 -8 -3 0 35.80 2.40 8 3 0 39.60 1.80 8 3 0 33.30 3.40 8 3 0 40.20 3.40 8 3 0 39.70 2.70 8 3 0 40.10 2.70 8 3 0 39.90 2.80 -9 -3 0 16.50 2.80 -9 -3 0 18.10 2.90 -9 -3 0 15.80 2.00 -9 -3 0 14.60 1.80 9 3 0 11.70 2.00 9 3 0 16.40 2.30 9 3 0 13.50 2.10 9 3 0 12.50 2.60 -10 -3 0 3.30 1.10 -10 -3 0 3.10 1.60 -10 -3 0 3.60 1.60 10 3 0 4.20 1.10 10 3 0 4.80 1.20 10 3 0 2.80 1.40 -11 -3 0 2.60 1.40 -11 -3 0 5.00 1.90 -11 -3 0 4.10 1.00 11 3 0 4.50 1.20 11 3 0 1.70 1.30 11 3 0 5.70 1.20 -12 -3 0 23.10 4.10 -12 -3 0 20.10 3.80 -12 -3 0 17.60 2.10 12 3 0 25.50 4.00 12 3 0 19.20 2.80 12 3 0 13.60 2.00 11 -4 0 143.59 5.00 11 -4 0 151.08 9.90 -11 4 0 137.99 8.00 -11 4 0 133.89 8.80 10 -4 0 200.58 6.40 10 -4 0 200.18 8.10 -10 4 0 200.98 10.30 -10 4 0 195.38 9.10 9 -4 0 19.10 2.10 9 -4 0 15.20 2.70 9 -4 0 16.70 2.60 -9 4 0 10.60 2.40 -9 4 0 16.70 2.80 8 -4 0 13.90 1.30 8 -4 0 8.40 1.80 8 -4 0 15.30 2.70 8 -4 0 12.00 1.80 8 -4 0 11.20 2.00 -8 4 0 8.50 2.10 -8 4 0 12.90 2.40 7 -4 0 8.20 1.60 7 -4 0 7.10 1.90 7 -4 0 9.50 1.10 7 -4 0 12.10 2.20 7 -4 0 13.70 2.20 7 -4 0 10.00 1.20 -7 4 0 6.30 1.50 -7 4 0 6.60 1.60 6 -4 0 16.70 2.10 6 -4 0 16.80 1.80 6 -4 0 23.60 2.50 6 -4 0 16.00 2.30 6 -4 0 23.00 2.00 6 -4 0 18.00 2.10 -6 4 0 22.10 2.80 -6 4 0 17.10 1.20 -6 4 0 24.40 2.60 -6 4 0 19.20 1.90 -6 4 0 17.30 2.20 -6 4 0 15.90 1.10 5 -4 0 0.50 0.60 5 -4 0 1.70 0.70 5 -4 0 0.50 0.60 5 -4 0 1.10 0.50 5 -4 0 1.20 0.50 5 -4 0 1.20 0.70 5 -4 0 0.50 0.60 5 -4 0 2.20 0.50 -5 4 0 1.80 0.40 -5 4 0 2.70 1.00 -5 4 0 0.70 0.60 -5 4 0 2.20 1.10 -5 4 0 0.70 0.60 4 -4 0 2.60 0.80 4 -4 0 4.70 1.20 4 -4 0 2.50 0.60 4 -4 0 3.30 0.60 4 -4 0 2.80 0.60 4 -4 0 2.50 0.70 4 -4 0 4.40 0.90 4 -4 0 2.80 0.60 4 -4 0 1.70 0.60 -4 4 0 3.30 0.80 -4 4 0 2.70 0.70 -4 4 0 3.40 1.20 -4 4 0 4.30 0.70 -4 4 0 2.60 0.50 -4 4 0 2.90 0.90 3 -4 0 1461.15 29.20 3 -4 0 1502.65 29.70 3 -4 0 1468.95 31.00 3 -4 0 1475.35 28.70 3 -4 0 1487.45 29.60 3 -4 0 1493.55 30.00 3 -4 0 1493.55 28.70 3 -4 0 1458.85 28.50 -3 4 0 1521.65 31.60 -3 4 0 1473.25 28.60 -3 4 0 1522.35 29.90 -3 4 0 1487.55 28.60 -3 4 0 1478.05 29.20 -3 4 0 1488.85 29.70 2 -4 0 2069.29 39.00 2 -4 0 2069.79 39.00 2 -4 0 2059.09 39.90 2 -4 0 2034.00 38.40 2 -4 0 2052.09 38.90 2 -4 0 2044.20 39.90 -2 4 0 2083.09 38.80 -2 4 0 2053.09 39.00 -2 4 0 2064.29 40.00 -2 4 0 2084.79 39.00 -2 4 0 1999.50 39.40 1 -4 0 29.90 1.20 1 -4 0 30.90 1.40 1 -4 0 27.10 1.60 1 -4 0 27.50 1.90 1 -4 0 26.70 1.60 -1 4 0 26.80 1.60 -1 4 0 28.80 1.40 -1 4 0 26.10 1.60 -1 4 0 27.00 1.80 -1 4 0 27.00 1.70 0 -4 0 219.08 5.20 0 -4 0 214.58 6.00 0 -4 0 215.58 5.70 0 4 0 215.08 5.70 0 4 0 216.98 5.70 0 4 0 214.58 6.00 0 4 0 220.68 5.20 -1 -4 0 284.67 6.60 -1 -4 0 275.97 7.00 -1 -4 0 287.27 7.30 -1 -4 0 276.17 7.00 1 4 0 283.37 7.10 1 4 0 274.27 7.00 1 4 0 271.77 7.10 1 4 0 280.97 6.60 -2 -4 0 733.23 14.20 -2 -4 0 732.13 15.50 -2 -4 0 704.53 15.30 -2 -4 0 732.83 15.20 -2 -4 0 734.23 15.60 2 4 0 713.63 15.30 2 4 0 738.43 15.40 2 4 0 717.43 15.20 2 4 0 718.03 15.40 -3 -4 0 37.50 2.10 -3 -4 0 37.70 2.10 -3 -4 0 37.20 2.10 -3 -4 0 35.50 1.80 3 4 0 36.70 2.20 3 4 0 38.20 2.00 3 4 0 46.00 2.30 3 4 0 37.20 2.20 -4 -4 0 1.70 0.50 -4 -4 0 0.90 0.30 -4 -4 0 1.10 0.50 -4 -4 0 2.60 0.60 -4 -4 0 0.70 0.50 4 4 0 1.50 0.60 4 4 0 1.30 0.40 4 4 0 0.60 0.50 -5 -4 0 2192.68 43.10 -5 -4 0 2246.48 43.50 -5 -4 0 2224.18 41.70 -5 -4 0 2201.28 43.10 -5 -4 0 2172.78 42.90 5 4 0 2205.68 43.20 5 4 0 2241.08 42.50 5 4 0 2288.67 44.20 5 4 0 2244.38 43.40 -6 -4 0 645.44 13.40 -6 -4 0 629.24 14.50 -6 -4 0 646.54 16.20 -6 -4 0 636.24 14.50 6 4 0 647.64 14.80 6 4 0 627.54 13.70 6 4 0 646.24 15.80 6 4 0 623.84 14.60 -7 -4 0 1.90 0.80 -7 -4 0 1.20 0.70 -7 -4 0 1.30 0.70 7 4 0 1.70 0.60 7 4 0 2.70 0.80 7 4 0 2.20 1.00 7 4 0 1.90 0.90 7 4 0 3.80 1.00 -8 -4 0 66.59 4.40 -8 -4 0 63.49 3.50 -8 -4 0 69.59 5.10 -8 -4 0 60.59 3.40 8 4 0 62.99 2.70 8 4 0 67.49 3.70 8 4 0 65.69 4.70 8 4 0 63.59 3.70 8 4 0 66.89 4.40 -9 -4 0 47.60 4.60 -9 -4 0 44.90 3.20 -9 -4 0 48.40 4.10 -9 -4 0 45.80 3.00 9 4 0 45.00 4.30 9 4 0 46.20 3.30 9 4 0 45.60 4.30 9 4 0 45.30 3.30 9 4 0 45.80 2.20 -10 -4 0 3.40 1.00 -10 -4 0 4.40 1.60 -10 -4 0 2.10 1.20 10 4 0 3.60 1.10 10 4 0 2.10 1.60 10 4 0 3.30 1.00 -11 -4 0 3.80 1.60 -11 -4 0 2.50 0.90 -11 -4 0 2.90 1.60 11 4 0 4.00 1.30 11 4 0 3.40 1.70 11 4 0 4.10 1.60 -12 -4 0 0.20 1.80 -12 -4 0 1.60 1.70 12 4 0 4.00 1.40 12 4 0 6.50 1.90 12 4 0 3.00 1.30 11 -5 0 4.40 1.80 11 -5 0 6.10 1.40 -11 5 0 5.70 2.00 -11 5 0 3.40 2.20 10 -5 0 56.19 4.70 10 -5 0 53.49 3.40 10 -5 0 54.79 4.00 -10 5 0 43.70 5.20 -10 5 0 51.59 4.90 9 -5 0 64.89 3.70 9 -5 0 59.69 3.90 9 -5 0 60.09 4.40 -9 5 0 69.59 5.00 -9 5 0 60.09 5.50 8 -5 0 64.59 2.70 8 -5 0 61.59 2.50 8 -5 0 56.49 4.30 8 -5 0 57.89 3.60 8 -5 0 65.19 4.50 8 -5 0 63.49 3.60 -8 5 0 63.59 4.50 -8 5 0 68.49 5.50 7 -5 0 7.00 1.20 7 -5 0 6.00 1.50 7 -5 0 4.00 1.10 7 -5 0 5.70 1.40 7 -5 0 9.60 1.50 7 -5 0 5.90 1.20 7 -5 0 6.40 1.00 -7 5 0 7.50 2.20 -7 5 0 6.30 1.40 -7 5 0 3.20 1.20 6 -5 0 5.70 1.40 6 -5 0 2.50 0.80 6 -5 0 3.00 1.10 6 -5 0 2.70 0.80 6 -5 0 2.70 0.70 6 -5 0 3.80 0.90 6 -5 0 3.40 1.40 6 -5 0 3.50 1.10 -6 5 0 4.00 1.00 -6 5 0 3.30 1.00 -6 5 0 1.90 0.60 -6 5 0 3.30 1.00 5 -5 0 12.60 1.70 5 -5 0 12.40 1.30 5 -5 0 7.70 1.40 5 -5 0 12.00 1.30 5 -5 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207.78 6.90 6 5 0 197.98 7.30 -7 -5 0 235.28 8.00 -7 -5 0 237.08 7.50 -7 -5 0 232.68 7.40 7 5 0 240.58 7.70 7 5 0 226.78 7.80 7 5 0 233.48 6.80 7 5 0 242.58 8.50 -8 -5 0 5.50 1.30 -8 -5 0 3.80 1.10 -8 -5 0 4.50 1.10 8 5 0 4.00 1.50 8 5 0 3.80 1.40 8 5 0 4.00 0.80 8 5 0 4.70 2.20 8 5 0 4.50 1.20 -9 -5 0 33.00 2.80 -9 -5 0 32.50 3.90 -9 -5 0 31.20 3.30 9 5 0 26.60 2.00 9 5 0 29.60 2.90 9 5 0 30.40 3.50 9 5 0 29.40 4.20 -10 -5 0 0.40 1.00 -10 -5 0 1.40 1.60 10 5 0 0.50 0.60 10 5 0 0.30 1.00 10 5 0 -1.40 0.80 -11 -5 0 1.00 1.20 -11 -5 0 1.00 1.70 11 5 0 0.90 1.80 11 5 0 -1.00 1.10 11 5 0 0.90 1.00 10 -6 0 19.00 2.60 10 -6 0 15.30 2.80 10 -6 0 18.90 2.80 -10 6 0 15.70 3.20 -10 6 0 21.00 3.60 9 -6 0 293.77 9.10 9 -6 0 269.97 8.90 9 -6 0 269.07 7.20 9 -6 0 290.37 10.50 -9 6 0 288.47 10.80 -9 6 0 275.57 12.50 8 -6 0 240.88 7.90 8 -6 0 207.78 7.00 8 -6 0 214.68 8.60 8 -6 0 204.68 6.00 8 -6 0 213.58 6.20 -8 6 0 219.18 8.60 -8 6 0 212.48 12.40 7 -6 0 1.30 1.00 7 -6 0 1.40 0.70 7 -6 0 1.50 0.70 7 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192.68 6.60 2 -6 0 197.58 6.00 2 -6 0 200.58 6.00 2 -6 0 200.48 6.70 2 -6 0 194.78 5.10 -2 6 0 197.68 5.50 -2 6 0 192.88 5.90 -2 6 0 193.08 6.60 -2 6 0 196.48 6.00 -2 6 0 192.38 7.20 1 -6 0 1712.73 34.50 1 -6 0 1721.23 33.20 1 -6 0 1786.02 35.20 1 -6 0 1741.93 35.40 -1 6 0 1719.13 34.50 -1 6 0 1757.32 33.60 -1 6 0 1767.12 34.50 -1 6 0 1745.13 34.50 -1 6 0 1715.53 35.40 0 -6 0 1056.79 22.40 0 -6 0 1072.09 21.20 0 -6 0 1066.29 23.00 0 -6 0 1057.39 22.20 0 6 0 1037.60 22.80 0 6 0 1049.70 22.20 0 6 0 1072.89 21.30 0 6 0 1047.90 22.20 -1 -6 0 101.59 3.60 -1 -6 0 109.89 4.60 -1 -6 0 105.29 4.30 -1 -6 0 100.79 4.10 1 6 0 102.09 4.40 1 6 0 104.59 3.70 1 6 0 101.19 4.10 1 6 0 101.89 4.20 -2 -6 0 560.34 13.70 -2 -6 0 550.14 13.20 -2 -6 0 539.95 12.60 -2 -6 0 551.74 13.40 2 6 0 565.34 12.80 2 6 0 560.14 13.50 2 6 0 559.44 13.40 -3 -6 0 2245.78 42.30 -3 -6 0 2296.37 44.90 -3 -6 0 2286.17 44.70 -3 -6 0 2238.68 44.40 3 6 0 2286.77 44.40 3 6 0 2241.48 44.60 3 6 0 2215.08 44.40 -4 -6 0 487.25 12.30 -4 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1.40 11 6 0 -1.50 1.00 9 -7 0 292.97 9.00 9 -7 0 318.07 11.50 9 -7 0 313.97 10.00 9 -7 0 290.37 7.80 9 -7 0 292.97 8.00 -9 7 0 307.37 13.60 -9 7 0 291.17 14.90 8 -7 0 166.58 6.90 8 -7 0 155.98 5.80 8 -7 0 168.08 5.60 8 -7 0 162.18 5.40 8 -7 0 162.38 7.70 -8 7 0 160.28 7.50 -8 7 0 158.68 9.30 -8 7 0 165.48 7.50 7 -7 0 6.70 1.20 7 -7 0 5.40 1.70 7 -7 0 7.90 1.30 7 -7 0 7.30 1.20 7 -7 0 6.50 1.60 -7 7 0 12.60 2.40 -7 7 0 7.10 1.50 -7 7 0 8.00 1.40 -7 7 0 6.00 3.10 -7 7 0 7.40 1.60 6 -7 0 11.70 2.10 6 -7 0 17.60 2.70 6 -7 0 15.80 2.50 6 -7 0 13.00 1.80 6 -7 0 16.50 2.40 6 -7 0 17.50 1.90 -6 7 0 12.40 1.60 -6 7 0 11.90 2.50 -6 7 0 9.50 2.30 -6 7 0 15.20 2.30 -6 7 0 18.10 1.80 5 -7 0 2.70 1.20 5 -7 0 3.30 1.00 5 -7 0 6.10 1.60 5 -7 0 1.90 1.10 5 -7 0 3.20 0.80 5 -7 0 2.50 0.90 5 -7 0 3.50 1.00 -5 7 0 5.50 1.20 -5 7 0 4.20 1.70 -5 7 0 1.10 0.80 -5 7 0 1.90 0.80 -5 7 0 2.20 0.90 4 -7 0 1.40 0.90 4 -7 0 2.10 0.60 4 -7 0 1.80 0.90 4 -7 0 2.70 0.90 4 -7 0 2.20 0.80 4 -7 0 2.90 1.10 -4 7 0 6.20 1.50 -4 7 0 2.80 1.00 -4 7 0 2.80 0.80 -4 7 0 3.90 1.60 -4 7 0 1.90 0.80 3 -7 0 1.20 0.70 3 -7 0 0.00 0.70 3 -7 0 0.60 0.40 3 -7 0 0.50 0.70 3 -7 0 0.20 0.60 3 -7 0 -0.10 0.70 -3 7 0 0.70 0.80 -3 7 0 0.30 0.60 -3 7 0 0.20 0.60 -3 7 0 0.60 0.60 2 -7 0 1.30 0.70 2 -7 0 2.50 0.90 2 -7 0 0.70 0.80 2 -7 0 0.60 0.70 2 -7 0 0.40 0.40 -2 7 0 1.40 0.70 -2 7 0 3.90 1.00 -2 7 0 2.30 0.70 -2 7 0 1.00 0.70 -2 7 0 0.50 0.60 1 -7 0 990.80 21.50 1 -7 0 967.60 21.40 1 -7 0 948.71 19.40 1 -7 0 937.61 20.80 1 -7 0 957.10 21.80 -1 7 0 941.31 21.70 -1 7 0 909.91 20.60 -1 7 0 953.50 20.80 -1 7 0 960.00 20.70 -1 7 0 973.00 19.70 0 -7 0 289.87 8.30 0 -7 0 279.07 7.20 0 -7 0 275.47 8.80 0 7 0 273.97 8.10 0 7 0 276.27 8.70 0 7 0 285.77 7.40 0 7 0 292.07 10.70 -1 -7 0 16.50 2.20 -1 -7 0 13.50 1.40 -1 -7 0 14.80 1.80 -1 -7 0 15.00 1.90 1 7 0 16.30 1.70 1 7 0 14.10 1.80 1 7 0 14.40 1.90 1 7 0 12.60 1.90 -2 -7 0 814.72 17.70 -2 -7 0 794.22 18.50 -2 -7 0 811.62 19.10 -2 -7 0 838.12 18.80 2 7 0 793.02 18.50 2 7 0 817.62 18.20 2 7 0 811.22 18.80 -3 -7 0 2434.16 48.80 -3 -7 0 2499.35 49.20 -3 -7 0 2497.35 49.50 3 7 0 2470.75 49.10 3 7 0 2502.65 48.40 3 7 0 2456.25 48.90 3 7 0 2415.96 48.90 -4 -7 0 280.37 6.90 -4 -7 0 288.67 8.90 -4 -7 0 290.67 9.00 -4 -7 0 279.47 8.60 4 7 0 275.57 8.70 4 7 0 282.47 8.60 4 7 0 277.17 8.50 4 7 0 282.27 8.90 -5 -7 0 27.60 2.60 -5 -7 0 17.00 3.20 -5 -7 0 23.00 1.80 -5 -7 0 26.80 2.60 -5 -7 0 26.70 2.10 5 7 0 29.30 2.70 5 7 0 25.90 2.30 5 7 0 21.80 2.50 5 7 0 25.30 2.50 -6 -7 0 369.76 10.80 -6 -7 0 361.26 10.80 -6 -7 0 351.66 9.60 6 7 0 371.36 11.10 6 7 0 355.36 10.80 6 7 0 342.37 10.50 6 7 0 351.66 10.00 -7 -7 0 605.64 15.60 -7 -7 0 577.74 15.40 -7 -7 0 583.24 14.80 7 7 0 594.14 16.30 7 7 0 595.24 15.50 7 7 0 603.74 14.60 7 7 0 605.04 15.80 -8 -7 0 16.70 2.40 -8 -7 0 15.60 2.30 8 7 0 10.80 1.90 8 7 0 9.50 2.10 8 7 0 11.40 2.00 8 7 0 15.30 1.90 -9 -7 0 2.20 1.20 -9 -7 0 -0.90 0.80 9 7 0 -0.50 0.90 9 7 0 -0.40 0.90 9 7 0 1.30 0.80 9 7 0 0.50 1.00 -10 -7 0 54.29 6.10 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21.30 3 8 0 951.90 22.00 3 8 0 954.20 22.00 3 8 0 910.71 21.70 -4 -8 0 38.10 3.30 -4 -8 0 42.30 3.30 -4 -8 0 42.60 3.20 4 8 0 36.70 3.00 4 8 0 42.80 3.30 4 8 0 38.10 3.10 4 8 0 36.70 3.10 -5 -8 0 109.39 5.50 -5 -8 0 107.39 5.40 -5 -8 0 105.29 3.80 5 8 0 104.49 5.40 5 8 0 102.69 4.90 5 8 0 102.89 5.20 5 8 0 94.39 5.00 -6 -8 0 226.08 6.90 -6 -8 0 220.38 8.50 -6 -8 0 225.68 6.90 -6 -8 0 240.38 8.50 6 8 0 225.88 8.50 6 8 0 217.48 7.70 6 8 0 230.28 8.50 6 8 0 225.88 8.30 -7 -8 0 40.20 3.50 -7 -8 0 39.40 3.60 -7 -8 0 40.50 3.00 7 8 0 42.30 5.20 7 8 0 38.80 3.00 7 8 0 39.50 3.70 7 8 0 40.10 4.00 -8 -8 0 97.39 5.00 -8 -8 0 94.99 5.40 8 8 0 101.79 4.80 8 8 0 101.99 5.70 8 8 0 106.49 6.90 8 8 0 100.99 6.00 -9 -8 0 22.20 2.80 9 8 0 26.00 3.70 9 8 0 33.50 3.30 9 8 0 26.00 2.40 9 8 0 28.30 3.30 -10 -8 0 6.90 1.80 10 8 0 6.10 1.80 10 8 0 10.20 2.10 10 8 0 11.90 2.60 10 8 0 6.90 1.50 8 -9 0 52.89 3.50 8 -9 0 69.19 5.70 8 -9 0 62.09 3.70 8 -9 0 63.09 4.90 -8 9 0 60.49 6.50 -8 9 0 55.89 3.10 -8 9 0 58.39 4.90 7 -9 0 227.78 7.60 7 -9 0 217.38 8.80 7 -9 0 216.18 9.60 7 -9 0 205.08 7.20 7 -9 0 203.98 6.10 -7 9 0 201.38 8.70 -7 9 0 199.88 6.60 -7 9 0 199.28 11.00 6 -9 0 31.60 3.10 6 -9 0 32.50 3.90 6 -9 0 28.50 2.90 6 -9 0 25.80 2.10 6 -9 0 29.80 4.10 -6 9 0 28.20 2.50 -6 9 0 33.70 4.20 -6 9 0 31.60 4.50 5 -9 0 -1.10 0.90 5 -9 0 -0.20 0.80 5 -9 0 0.00 0.50 5 -9 0 0.80 1.00 -5 9 0 -0.60 0.70 -5 9 0 0.40 0.90 -5 9 0 1.20 1.50 4 -9 0 0.30 1.40 4 -9 0 2.90 1.00 4 -9 0 2.60 1.10 4 -9 0 2.00 1.00 4 -9 0 1.90 0.60 -4 9 0 1.30 1.00 -4 9 0 0.50 1.20 -4 9 0 1.40 1.00 3 -9 0 0.40 1.30 3 -9 0 1.80 0.90 3 -9 0 0.80 1.00 3 -9 0 1.70 1.10 3 -9 0 1.50 0.60 3 -9 0 3.20 1.20 -3 9 0 0.70 0.80 -3 9 0 1.70 1.70 2 -9 0 63.89 3.90 2 -9 0 63.79 4.40 2 -9 0 65.49 2.90 2 -9 0 63.39 4.00 2 -9 0 64.29 4.00 2 -9 0 61.59 4.50 -2 9 0 64.79 3.90 -2 9 0 66.39 3.90 1 -9 0 1.60 1.00 1 -9 0 1.10 0.90 1 -9 0 1.10 1.10 1 -9 0 1.50 0.80 1 -9 0 1.40 0.90 1 -9 0 0.40 0.80 -1 9 0 1.70 0.80 -1 9 0 1.10 0.80 -1 9 0 1.30 0.90 0 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8 313.27 12.80 6 -3 8 327.27 10.20 6 -3 8 324.27 12.30 -7 3 -8 25.50 3.40 -7 3 -8 24.40 2.40 -7 3 -8 27.00 3.70 7 -3 8 21.70 2.50 7 -3 8 28.70 3.50 7 -3 8 26.90 2.70 -8 3 -8 46.20 4.50 -8 3 -8 46.20 4.40 -8 3 -8 46.90 2.90 8 -3 8 42.50 4.50 8 -3 8 44.90 3.20 8 -3 8 42.70 3.20 -9 3 -8 24.20 3.80 -9 3 -8 24.10 3.70 9 -3 8 17.90 2.20 9 -3 8 23.30 3.90 9 -3 8 19.90 2.20 -10 3 -8 95.99 6.70 -10 3 -8 95.89 6.40 10 -3 8 100.69 6.70 10 -3 8 86.19 3.60 10 -3 8 80.59 3.60 6 2 -8 379.06 13.60 -6 -2 8 367.06 13.70 5 2 -8 160.78 8.20 -5 -2 8 142.09 5.10 -5 -2 8 152.68 7.70 4 2 -8 -0.30 1.30 -4 -2 8 0.30 0.80 -4 -2 8 0.20 1.10 3 2 -8 17.70 3.80 -3 -2 8 20.00 2.50 -3 -2 8 23.70 3.20 2 2 -8 1.10 0.70 2 2 -8 0.10 1.20 -2 -2 8 -0.40 0.80 -2 -2 8 0.90 0.80 1 2 -8 3.20 2.20 1 2 -8 6.30 1.70 1 2 -8 2.70 1.10 -1 -2 8 6.00 1.40 -1 -2 8 3.90 1.30 -1 -2 8 4.80 1.40 0 2 -8 36.30 2.90 0 2 -8 30.30 3.10 0 2 -8 29.70 3.40 0 2 -8 37.00 2.50 0 -2 8 32.30 3.70 0 -2 8 30.70 3.20 0 -2 8 33.70 3.00 -1 2 -8 179.58 7.50 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12 1.70 1.50 -2 4 12 1.40 1.10 1 -4 -12 155.68 9.20 1 -4 -12 153.58 8.10 -1 4 12 158.28 8.10 -1 4 12 139.49 6.60 0 -4 -12 37.60 4.60 0 -4 -12 30.70 4.70 0 4 12 30.60 3.80 -1 -4 -12 30.70 4.00 1 4 12 33.10 3.70 -2 -4 -12 1.50 1.30 2 4 12 7.10 1.70 -3 -4 -12 147.49 7.50 3 4 12 140.49 7.20 -4 -4 -12 35.50 3.90 4 4 12 33.90 3.60 4 4 12 38.30 3.80 -5 -4 -12 1.80 1.20 5 4 12 -0.10 0.90 5 4 12 1.10 0.90 5 4 12 3.00 1.30 -6 -4 -12 -0.90 1.20 -6 -4 -12 0.60 1.40 -6 -4 -12 -0.50 1.00 6 4 12 -1.10 1.00 6 4 12 0.90 0.80 6 4 12 -1.50 0.90 -7 -4 -12 49.60 5.30 -7 -4 -12 52.89 4.00 -7 -4 -12 56.59 4.50 7 4 12 54.69 4.10 7 4 12 38.30 6.50 7 4 12 59.49 3.70 7 4 12 56.19 4.40 7 4 12 49.20 4.10 -8 -4 -12 8.80 2.30 -8 -4 -12 11.50 2.20 -8 -4 -12 16.50 2.70 8 4 12 9.30 1.90 8 4 12 10.40 2.00 8 4 12 9.30 1.80 8 4 12 12.30 2.20 -9 -4 -12 2.10 1.70 -9 -4 -12 7.10 2.20 -9 -4 -12 3.90 1.50 9 4 12 5.30 1.40 9 4 12 2.10 1.30 9 4 12 0.40 1.50 9 4 12 3.60 1.60 -10 -4 -12 43.10 4.20 -10 -4 -12 40.20 4.10 -10 -4 -12 45.80 5.50 10 4 12 51.39 3.90 10 4 12 46.20 4.10 10 4 12 46.00 4.40 2 -5 -12 113.99 8.10 2 -5 -12 112.09 7.40 -2 5 12 113.79 7.00 1 -5 -12 455.75 16.50 1 -5 -12 461.15 15.40 -1 5 12 467.45 15.10 -1 5 12 413.56 12.90 0 -5 -12 94.49 6.40 0 -5 -12 88.19 6.80 0 5 12 86.19 5.90 -1 -5 -12 1.40 1.40 -1 -5 -12 -0.20 1.20 1 5 12 0.90 1.00 -2 -5 -12 125.19 7.40 -2 -5 -12 120.59 7.70 2 5 12 111.49 6.50 -3 -5 -12 245.58 10.00 3 5 12 244.08 9.90 -4 -5 -12 26.50 3.50 4 5 12 15.70 3.00 4 5 12 24.10 3.20 -5 -5 -12 1.10 1.10 -5 -5 -12 -0.70 0.90 5 5 12 0.10 0.70 5 5 12 0.70 0.90 5 5 12 -1.00 0.90 -6 -5 -12 9.50 1.60 6 5 12 10.30 2.00 6 5 12 13.50 2.20 6 5 12 17.10 2.80 6 5 12 10.70 3.40 -7 -5 -12 67.49 4.20 -7 -5 -12 64.19 6.10 -7 -5 -12 71.89 5.00 7 5 12 66.49 4.40 7 5 12 70.19 4.90 7 5 12 68.79 4.70 7 5 12 75.79 4.70 -8 -5 -12 55.09 3.90 -8 -5 -12 58.69 4.60 -8 -5 -12 53.49 5.50 8 5 12 52.29 4.30 8 5 12 46.80 4.40 8 5 12 55.49 4.30 8 5 12 49.10 4.00 -9 -5 -12 9.30 2.00 -9 -5 -12 7.40 2.20 -9 -5 -12 7.40 1.60 9 5 12 6.40 1.70 9 5 12 8.50 1.80 9 5 12 5.80 1.80 9 5 12 8.10 1.80 -10 -5 -12 137.79 6.50 -10 -5 -12 152.38 9.00 -10 -5 -12 140.59 6.60 10 5 12 126.99 6.80 10 5 12 131.69 6.20 10 5 12 134.99 6.70 1 -6 -12 411.06 15.40 1 -6 -12 414.26 14.50 -1 6 12 388.26 10.70 -1 6 12 394.46 13.80 -1 6 12 387.96 13.80 0 -6 -12 29.60 4.10 0 -6 -12 29.60 4.70 0 6 12 26.40 3.70 -1 -6 -12 14.50 3.10 1 6 12 14.40 2.50 1 6 12 17.00 2.60 -2 -6 -12 110.79 7.50 -2 -6 -12 122.59 8.60 2 6 12 109.09 6.50 -3 -6 -12 196.58 9.00 -3 -6 -12 219.78 10.10 3 6 12 204.18 9.00 -4 -6 -12 0.10 1.10 4 6 12 0.30 1.00 -5 -6 -12 3.90 1.60 -5 -6 -12 3.30 1.00 5 6 12 3.40 1.50 5 6 12 5.10 1.70 5 6 12 4.90 1.70 -6 -6 -12 0.10 0.80 -6 -6 -12 -0.40 1.10 6 6 12 0.10 1.20 6 6 12 1.20 1.10 6 6 12 0.80 0.90 -7 -6 -12 28.70 2.70 -7 -6 -12 30.50 3.80 7 6 12 30.70 3.30 7 6 12 24.80 3.20 7 6 12 35.90 5.00 7 6 12 29.20 3.20 -8 -6 -12 5.30 1.20 -8 -6 -12 2.70 1.90 -8 -6 -12 2.00 1.60 8 6 12 3.30 1.40 8 6 12 2.70 1.50 8 6 12 1.60 1.40 8 6 12 3.60 1.20 -9 -6 -12 1.50 1.50 -9 -6 -12 0.40 1.10 -9 -6 -12 0.50 1.80 9 6 12 1.70 1.00 9 6 12 -0.80 1.20 9 6 12 -0.30 1.20 9 6 12 -1.00 0.90 -10 -6 -12 95.49 5.80 -10 -6 -12 106.29 7.60 -10 -6 -12 110.79 5.40 10 6 12 111.29 6.20 10 6 12 106.49 5.60 10 6 12 100.29 5.50 10 6 12 105.59 5.80 1 -7 -12 49.99 5.70 1 -7 -12 48.90 5.20 -1 7 12 50.39 5.10 -1 7 12 59.29 4.00 0 -7 -12 37.70 5.00 0 -7 -12 40.00 4.60 0 7 12 37.50 3.30 0 7 12 36.70 4.30 -1 -7 -12 149.39 8.00 -1 -7 -12 159.88 9.10 1 7 12 156.18 8.00 -2 -7 -12 16.50 3.40 -2 -7 -12 9.20 2.00 2 7 12 11.30 2.20 -3 -7 -12 47.00 4.60 -3 -7 -12 54.19 5.30 3 7 12 48.50 4.40 -4 -7 -12 16.50 3.30 -4 -7 -12 13.80 1.90 -4 -7 -12 10.60 2.20 4 7 12 11.00 2.20 4 7 12 10.40 2.30 -5 -7 -12 3.60 0.90 -5 -7 -12 4.80 1.80 -5 -7 -12 6.90 1.80 5 7 12 4.30 1.40 5 7 12 4.90 1.50 -6 -7 -12 2.40 1.40 -6 -7 -12 2.50 0.90 6 7 12 0.70 1.00 6 7 12 0.70 1.10 6 7 12 1.10 1.00 -7 -7 -12 4.20 1.80 7 7 12 -1.40 0.90 7 7 12 -1.10 1.00 7 7 12 0.10 0.90 -8 -7 -12 25.50 4.50 -8 -7 -12 29.60 2.70 -8 -7 -12 34.60 3.90 8 7 12 40.90 3.70 8 7 12 31.30 3.50 8 7 12 32.70 3.80 8 7 12 39.30 3.70 -9 -7 -12 5.20 1.90 -9 -7 -12 5.80 2.20 9 7 12 3.80 1.40 9 7 12 4.30 1.40 9 7 12 6.20 1.70 9 7 12 4.50 1.40 -10 -7 -12 12.70 2.80 10 7 12 18.20 2.80 10 7 12 23.90 3.00 10 7 12 15.60 2.40 10 7 12 19.80 3.40 1 -8 -12 10.20 2.80 -1 8 12 17.70 3.10 0 -8 -12 328.67 10.00 0 -8 -12 359.86 14.30 0 8 12 347.67 12.70 0 8 12 339.07 11.20 -1 -8 -12 394.96 14.80 -1 -8 -12 394.36 13.90 1 8 12 381.56 13.40 -2 -8 -12 5.70 2.10 -2 -8 -12 7.80 2.10 2 8 12 8.00 1.70 -3 -8 -12 2.00 1.60 -3 -8 -12 1.00 1.50 3 8 12 0.40 1.20 -4 -8 -12 85.19 6.50 -4 -8 -12 92.59 6.10 4 8 12 80.79 5.50 4 8 12 84.89 5.70 -5 -8 -12 2.70 1.60 -5 -8 -12 5.30 1.80 5 8 12 2.50 1.40 5 8 12 3.70 1.30 -6 -8 -12 7.30 2.00 6 8 12 8.70 1.90 6 8 12 5.40 1.60 -7 -8 -12 19.50 3.40 7 8 12 22.20 3.10 7 8 12 27.40 3.40 -8 -8 -12 40.90 4.40 8 8 12 32.80 3.80 8 8 12 39.00 3.90 8 8 12 40.60 3.80 8 8 12 39.90 3.90 -9 -8 -12 9.20 2.20 -9 -8 -12 6.20 1.90 -9 -8 -12 8.80 2.60 9 8 12 8.00 1.70 9 8 12 9.70 3.10 9 8 12 6.40 1.80 9 8 12 12.90 2.20 0 -9 -12 367.66 14.60 0 -9 -12 335.27 9.50 0 -9 -12 386.36 13.90 0 9 12 367.46 13.30 0 9 12 353.16 12.10 -1 -9 -12 297.57 12.60 -1 -9 -12 295.37 11.80 1 9 12 284.17 11.30 -2 -9 -12 -0.70 1.40 -2 -9 -12 1.10 1.60 2 9 12 0.70 1.20 -3 -9 -12 9.30 2.30 -3 -9 -12 8.10 2.10 3 9 12 9.30 2.10 -4 -9 -12 126.69 7.70 -4 -9 -12 109.59 6.90 4 9 12 113.69 6.60 4 9 12 106.39 6.50 -5 -9 -12 6.40 1.80 5 9 12 4.70 1.50 -6 -9 -12 4.90 1.70 -6 -9 -12 4.70 2.00 6 9 12 3.10 1.40 6 9 12 5.80 1.90 -7 -9 -12 2.40 1.50 7 9 12 1.70 1.20 7 9 12 2.70 1.40 -8 -9 -12 10.80 2.00 -8 -9 -12 13.40 2.50 8 9 12 10.20 2.10 8 9 12 8.20 2.00 8 9 12 17.10 2.70 -9 -9 -12 -2.70 1.40 9 9 12 -2.00 1.20 9 9 12 -0.10 1.20 9 9 12 3.70 1.80 9 9 12 -0.30 1.00 -2 -10 -12 64.99 6.10 -2 -10 -12 61.89 5.60 2 10 12 55.19 4.90 -3 -10 -12 1.40 1.60 -3 -10 -12 4.20 2.10 3 10 12 3.20 1.40 3 10 12 3.90 1.60 -4 -10 -12 39.70 4.90 -4 -10 -12 42.60 4.90 4 10 12 45.10 4.50 4 10 12 34.80 4.10 -5 -10 -12 -0.90 1.40 -5 -10 -12 -1.90 1.50 5 10 12 0.30 1.10 5 10 12 0.00 1.10 -6 -10 -12 25.70 4.20 -6 -10 -12 21.50 4.60 6 10 12 30.70 3.70 6 10 12 26.90 3.60 -7 -10 -12 0.10 1.50 -7 -10 -12 -2.20 1.30 -7 -10 -12 -2.10 1.10 7 10 12 -0.60 1.00 7 10 12 0.40 1.20 -4 -11 -12 1.50 1.90 -4 -11 -12 3.50 2.10 4 11 12 4.30 1.50 -5 -11 -12 22.20 3.70 -5 -11 -12 20.70 3.40 5 11 12 25.90 3.80 -2 -2 -13 89.89 6.30 -2 -2 -13 90.39 6.50 2 2 13 106.39 6.70 2 2 13 95.29 6.10 -3 -2 -13 3.50 1.70 -3 -2 -13 2.10 1.50 3 2 13 2.30 1.40 3 2 13 1.40 1.20 3 2 13 5.30 1.80 -4 -2 -13 -0.10 1.40 -4 -2 -13 -1.10 1.60 4 2 13 -0.10 1.60 4 2 13 0.90 1.40 4 2 13 0.30 1.20 -5 -2 -13 120.19 7.70 -5 -2 -13 131.09 7.30 5 2 13 129.79 7.30 5 2 13 113.79 6.90 5 2 13 117.99 7.30 -6 -2 -13 72.79 5.50 -6 -2 -13 63.89 5.90 -6 -2 -13 57.39 5.40 6 2 13 64.99 5.10 6 2 13 61.29 6.60 6 2 13 61.69 5.40 -1 -3 -13 450.85 15.50 1 3 13 459.45 15.40 1 3 13 421.66 13.70 -2 -3 -13 180.28 9.10 2 3 13 182.48 8.90 2 3 13 182.58 8.30 -3 -3 -13 0.00 1.50 3 3 13 0.80 1.10 3 3 13 0.50 1.10 -4 -3 -13 44.30 5.20 -4 -3 -13 50.19 4.80 4 3 13 45.00 4.30 4 3 13 32.30 3.20 -5 -3 -13 244.98 11.30 -5 -3 -13 259.47 10.40 5 3 13 221.38 8.40 5 3 13 261.57 10.40 -6 -3 -13 43.50 4.60 -6 -3 -13 35.40 5.10 6 3 13 35.90 4.40 6 3 13 45.10 4.20 6 3 13 43.40 4.40 -7 -3 -13 -0.60 1.30 -7 -3 -13 0.50 1.60 7 3 13 0.00 1.40 7 3 13 0.40 1.10 -1 -4 -13 327.17 12.80 1 4 13 326.97 12.60 -2 -4 -13 45.40 5.00 2 4 13 40.50 4.50 -3 -4 -13 10.90 2.20 3 4 13 12.50 2.50 -4 -4 -13 35.30 4.20 4 4 13 34.80 3.90 -5 -4 -13 162.58 8.10 5 4 13 155.28 7.90 -6 -4 -13 8.20 1.90 -6 -4 -13 11.30 2.60 -6 -4 -13 7.90 1.90 6 4 13 8.10 2.10 6 4 13 9.20 2.30 6 4 13 11.30 2.20 -7 -4 -13 4.90 1.70 -7 -4 -13 9.70 2.80 -7 -4 -13 8.40 2.10 7 4 13 4.40 2.00 7 4 13 10.00 2.10 7 4 13 7.30 1.40 7 4 13 4.40 1.70 -8 -4 -13 7.80 2.00 -8 -4 -13 11.60 2.40 -8 -4 -13 8.60 2.40 8 4 13 15.00 2.60 8 4 13 9.10 2.10 8 4 13 10.10 1.90 -1 -5 -13 20.30 3.50 -1 -5 -13 29.50 4.80 1 5 13 28.30 3.90 -2 -5 -13 40.10 4.90 2 5 13 45.90 4.60 -3 -5 -13 247.48 10.50 3 5 13 233.28 10.10 -4 -5 -13 7.30 1.80 4 5 13 0.70 1.20 -5 -5 -13 38.10 4.30 -5 -5 -13 37.20 3.60 5 5 13 38.80 4.10 -6 -5 -13 30.90 3.40 -6 -5 -13 32.30 4.10 6 5 13 33.70 2.70 6 5 13 33.70 3.90 -7 -5 -13 43.70 4.50 -7 -5 -13 35.00 3.50 -7 -5 -13 34.30 5.00 7 5 13 34.30 3.80 7 5 13 29.70 3.10 7 5 13 32.50 3.90 7 5 13 38.40 3.90 -8 -5 -13 8.50 1.90 -8 -5 -13 12.00 2.40 -8 -5 -13 13.70 3.50 8 5 13 9.30 1.90 8 5 13 6.70 2.90 8 5 13 8.40 2.00 -1 -6 -13 25.00 4.10 1 6 13 25.40 3.70 -2 -6 -13 264.37 11.20 -2 -6 -13 268.37 12.20 2 6 13 261.27 10.90 -3 -6 -13 500.85 16.20 3 6 13 503.35 16.10 -4 -6 -13 77.39 7.20 4 6 13 66.19 5.20 -5 -6 -13 -0.30 1.00 -5 -6 -13 2.10 1.50 5 6 13 0.40 1.10 -6 -6 -13 139.49 6.00 -6 -6 -13 147.79 7.70 6 6 13 152.88 7.80 6 6 13 135.89 6.10 6 6 13 142.09 7.10 -7 -6 -13 105.69 6.40 -7 -6 -13 98.09 5.10 -7 -6 -13 101.59 7.80 7 6 13 94.59 5.90 7 6 13 108.09 6.00 7 6 13 102.79 6.30 7 6 13 90.59 5.30 -8 -6 -13 0.40 1.70 -8 -6 -13 2.80 1.70 8 6 13 -0.90 1.50 8 6 13 -1.60 0.90 8 6 13 1.40 1.00 8 6 13 -1.80 1.20 -1 -7 -13 -1.10 1.40 -1 -7 -13 0.00 1.60 1 7 13 -1.20 1.10 1 7 13 0.40 0.90 -2 -7 -13 159.98 8.60 -2 -7 -13 162.38 9.50 2 7 13 161.28 8.40 -3 -7 -13 368.86 14.30 -3 -7 -13 356.26 13.30 3 7 13 338.87 12.80 -4 -7 -13 7.30 2.50 -4 -7 -13 6.70 1.40 -4 -7 -13 7.00 2.00 4 7 13 8.50 2.10 -5 -7 -13 7.80 2.30 -5 -7 -13 3.50 1.20 5 7 13 4.10 1.40 -6 -7 -13 205.28 9.40 -6 -7 -13 204.18 7.00 6 7 13 226.68 9.30 6 7 13 210.78 9.30 -7 -7 -13 83.89 6.00 -7 -7 -13 78.99 4.20 7 7 13 93.39 5.80 7 7 13 85.69 5.80 -8 -7 -13 3.40 1.30 -8 -7 -13 3.40 1.60 -8 -7 -13 3.90 2.30 8 7 13 4.10 1.70 8 7 13 5.00 1.50 8 7 13 5.10 1.50 -2 -8 -13 5.20 2.10 -2 -8 -13 3.70 2.60 2 8 13 3.80 1.50 -3 -8 -13 11.90 2.80 -3 -8 -13 7.90 2.30 3 8 13 10.10 2.20 -4 -8 -13 103.79 7.40 -4 -8 -13 106.69 7.00 4 8 13 102.09 6.70 -5 -8 -13 63.49 6.40 -5 -8 -13 48.70 5.70 5 8 13 54.29 4.70 5 8 13 60.89 4.90 -6 -8 -13 75.69 5.90 6 8 13 71.29 5.30 6 8 13 76.89 5.50 -7 -8 -13 2.90 1.70 7 8 13 4.00 1.70 7 8 13 3.60 1.50 -3 -9 -13 19.00 3.30 -3 -9 -13 17.70 3.40 3 9 13 24.60 3.70 -4 -9 -13 357.16 14.10 -4 -9 -13 346.57 13.20 4 9 13 341.87 12.80 -5 -9 -13 208.88 9.60 -5 -9 -13 205.18 10.30 5 9 13 207.98 9.40 5 9 13 204.58 9.40 -6 -9 -13 3.70 1.80 6 9 13 2.70 1.40 6 9 13 0.20 1.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 18152 _shelx_res_file ; mo_LXT0626_1_1_0m.res created by SHELXL-2014/7 TITL mo_LXT0626_1_1_0m_a.res in P-1 CELL 0.71073 10.4179 10.5225 10.5988 65.356 69.658 77.922 ZERR 1.00 0.0003 0.0004 0.0004 0.001 0.001 0.001 LATT 1 SFAC C H N O Mo UNIT 20 28 8 26 8 omit 2 2 2 omit -2 1 1 L.S. 4 ACTA BOND $H FMAP 2 PLAN -10 size 0.11 0.12 0.14 HTAB N4 O13_$3 EQIV $3 x+1, y, z-1 HTAB N4 O7 HTAB N3 O8 HTAB N2 O7_$2 EQIV $2 -x+1, -y+1, -z HTAB N2 O6_$1 HTAB N1 O10_$1 EQIV $1 x, y-1, z TEMP 20.000 WGHT 0.036500 2.413900 FVAR 0.33698 C1 1 0.149529 0.030074 0.238845 11.00000 0.03931 0.02976 = 0.03646 -0.00861 -0.01384 -0.00531 C2 1 0.045888 0.133732 0.259713 11.00000 0.04910 0.02929 = 0.05643 -0.02160 -0.02007 -0.00119 AFIX 43 H2 2 0.066450 0.226852 0.220392 11.00000 -1.20000 AFIX 0 C3 1 -0.083440 0.099510 0.336373 11.00000 0.04394 0.05316 = 0.05603 -0.03276 -0.01453 0.00603 AFIX 43 H3 2 -0.151459 0.169125 0.351226 11.00000 -1.20000 AFIX 0 C4 1 -0.117147 -0.039431 0.394146 11.00000 0.03586 0.06217 = 0.04089 -0.01161 -0.01093 -0.00999 AFIX 43 H4 2 -0.206763 -0.063184 0.446897 11.00000 -1.20000 AFIX 0 C5 1 -0.016625 -0.137595 0.371390 11.00000 0.04672 0.03484 = 0.04722 -0.00380 -0.01666 -0.01348 AFIX 43 H5 2 -0.037091 -0.230458 0.407712 11.00000 -1.20000 AFIX 0 C6 1 0.764837 0.284331 0.051913 11.00000 0.03694 0.03117 = 0.02488 -0.01125 -0.00818 0.00107 C7 1 0.835634 0.161657 0.028177 11.00000 0.04516 0.04609 = 0.05129 -0.02713 -0.01378 0.01102 AFIX 43 H7 2 0.926857 0.163015 -0.028331 11.00000 -1.20000 AFIX 0 C8 1 0.769886 0.042844 0.088064 11.00000 0.08086 0.03180 = 0.05151 -0.01875 -0.03022 0.01236 AFIX 43 H8 2 0.817332 -0.037875 0.074248 11.00000 -1.20000 AFIX 0 C9 1 0.632351 0.039335 0.170062 11.00000 0.08602 0.03650 = 0.04463 -0.01277 -0.01686 -0.01679 AFIX 43 H9 2 0.587782 -0.042808 0.211650 11.00000 -1.20000 AFIX 0 C10 1 0.565207 0.158168 0.187747 11.00000 0.05499 0.05165 = 0.03885 -0.02181 -0.00021 -0.01824 AFIX 43 H10 2 0.472949 0.158713 0.240856 11.00000 -1.20000 AFIX 0 MO1 5 0.466940 0.672200 0.500560 11.00000 0.02045 0.01403 = 0.01832 -0.00576 -0.00153 -0.00128 MO2 5 0.530421 0.640485 0.196519 11.00000 0.02766 0.01659 = 0.01735 -0.00405 -0.00371 -0.00261 MO3 5 0.270489 0.450222 0.339268 11.00000 0.02477 0.02705 = 0.02726 -0.01100 -0.00695 -0.00377 MO4 5 0.208009 0.478283 0.650140 11.00000 0.01784 0.02699 = 0.02699 -0.01276 -0.00024 -0.00287 N1 3 0.113672 -0.103387 0.296558 11.00000 0.04400 0.02281 = 0.04897 -0.00690 -0.01462 -0.00233 AFIX 3 H1 2 0.180191 -0.178790 0.293627 11.00000 -1.20000 AFIX 0 N2 3 0.277900 0.056745 0.167052 11.00000 0.04438 0.03440 = 0.07008 -0.00444 -0.00934 -0.00436 AFIX 3 H2A 2 0.353662 -0.008126 0.155711 11.00000 -1.20000 H2B 2 0.290562 0.154174 0.107211 11.00000 -1.20000 AFIX 0 N3 3 0.632075 0.276608 0.128217 11.00000 0.03918 0.03434 = 0.03566 -0.02036 -0.00176 -0.00347 AFIX 3 H3A 2 0.586515 0.350989 0.140214 11.00000 -1.20000 AFIX 0 N4 3 0.825549 0.401429 0.005018 11.00000 0.03477 0.04518 = 0.04047 -0.02075 0.00410 -0.00805 AFIX 3 H4A 2 0.768165 0.486928 0.024708 11.00000 -1.20000 H4B 2 0.910565 0.398528 -0.055892 11.00000 -1.20000 AFIX 0 O1 4 0.364231 0.818117 0.444515 11.00000 0.03245 0.02200 = 0.03112 -0.00883 -0.00508 0.00384 O2 4 0.568240 0.717377 0.574836 11.00000 0.02823 0.02203 = 0.02621 -0.00940 -0.00340 -0.00560 O3 4 0.344874 0.559542 0.684642 11.00000 0.02287 0.02115 = 0.01910 -0.00712 -0.00011 -0.00294 O4 4 0.608546 0.688284 0.316115 11.00000 0.02320 0.01764 = 0.01951 -0.00433 -0.00035 -0.00543 O5 4 0.398241 0.541756 0.431806 11.00000 0.02215 0.01867 = 0.02259 -0.00766 -0.00332 -0.00179 O6 4 0.423923 0.788505 0.154276 11.00000 0.04790 0.02315 = 0.03617 -0.00921 -0.01859 0.00525 O7 4 0.667178 0.662262 0.043612 11.00000 0.04438 0.03041 = 0.02246 -0.00722 0.00017 -0.00805 O8 4 0.442084 0.507164 0.185374 11.00000 0.03375 0.02555 = 0.02343 -0.01097 -0.00625 -0.00486 O9 4 0.221329 0.341434 0.286087 11.00000 0.04683 0.04614 = 0.04376 -0.02129 -0.01479 -0.01223 O10 4 0.174926 0.604625 0.289138 11.00000 0.03629 0.04072 = 0.04156 -0.01576 -0.01487 0.00495 O11 4 0.185352 0.381898 0.544590 11.00000 0.02642 0.03150 = 0.03096 -0.01277 -0.00070 -0.01028 O12 4 0.115592 0.630846 0.589383 11.00000 0.03307 0.03884 = 0.05591 -0.02454 -0.01586 0.00751 O13 4 0.112050 0.390387 0.822426 11.00000 0.02969 0.05266 = 0.03234 -0.01614 0.00727 -0.01344 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM mo_LXT0626_1_1_0m_a.res in P-1 REM R1 = 0.0210 for 4143 Fo > 4sig(Fo) and 0.0240 for all 4525 data REM 280 parameters refined using 0 restraints END WGHT 0.0153 1.7029 REM Highest difference peak 0.800, deepest hole -0.595, 1-sigma level 0.093 Q1 1 -0.2403 -0.0445 0.4517 11.00000 0.05 0.80 Q2 1 -0.0656 -0.0806 0.3312 11.00000 0.05 0.31 Q3 1 -0.0480 -0.1078 0.4202 11.00000 0.05 0.31 Q4 1 0.3844 0.5945 0.6276 11.00000 0.05 0.31 Q5 1 0.5585 0.6559 0.5699 11.00000 0.05 0.30 Q6 1 0.1637 0.6076 0.4557 11.00000 0.05 0.30 Q7 1 -0.0229 0.1097 0.2630 11.00000 0.05 0.29 Q8 1 -0.0116 0.1080 0.3372 11.00000 0.05 0.28 Q9 1 0.2587 0.5801 0.2661 11.00000 0.05 0.28 Q10 1 0.6065 0.2979 0.1865 11.00000 0.05 0.28 ; _shelx_res_checksum 60016 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy C C1 0.1495(4) 0.0301(3) 0.2388(4) 0.0353(7) Uani d 1 C C2 0.0459(4) 0.1337(4) 0.2597(4) 0.0420(8) Uani d 1 H H2 0.0665 0.2269 0.2204 0.050 Uiso calc 1 C C3 -0.0834(4) 0.0995(5) 0.3364(5) 0.0483(9) Uani d 1 H H3 -0.1515 0.1691 0.3512 0.058 Uiso calc 1 C C4 -0.1171(4) -0.0394(5) 0.3941(4) 0.0481(9) Uani d 1 H H4 -0.2068 -0.0632 0.4469 0.058 Uiso calc 1 C C5 -0.0166(4) -0.1376(4) 0.3714(4) 0.0445(8) Uani d 1 H H5 -0.0371 -0.2305 0.4077 0.053 Uiso calc 1 C C6 0.7648(3) 0.2843(3) 0.0519(3) 0.0316(6) Uani d 1 C C7 0.8356(4) 0.1617(4) 0.0282(5) 0.0469(9) Uani d 1 H H7 0.9269 0.1630 -0.0283 0.056 Uiso calc 1 C C8 0.7699(5) 0.0428(4) 0.0881(5) 0.0533(11) Uani d 1 H H8 0.8173 -0.0379 0.0742 0.064 Uiso calc 1 C C9 0.6324(5) 0.0393(4) 0.1701(5) 0.0552(11) Uani d 1 H H9 0.5878 -0.0428 0.2116 0.066 Uiso calc 1 C C10 0.5652(5) 0.1582(4) 0.1877(4) 0.0483(9) Uani d 1 H H10 0.4729 0.1587 0.2409 0.058 Uiso calc 1 Mo Mo1 0.46694(2) 0.67220(2) 0.50056(2) 0.01890(7) Uani d 1 Mo Mo2 0.53042(3) 0.64048(2) 0.19652(2) 0.02202(7) Uani d 1 Mo Mo3 0.27049(3) 0.45022(3) 0.33927(3) 0.02597(7) Uani d 1 Mo Mo4 0.20801(2) 0.47828(3) 0.65014(3) 0.02462(7) Uani d 1 N N1 0.1137(3) -0.1034(3) 0.2966(4) 0.0407(7) Uani d 1 H H1 0.1802 -0.1788 0.2936 0.049 Uiso d 1 N N2 0.2779(4) 0.0567(4) 0.1671(4) 0.0569(10) Uani d 1 H H2A 0.3537 -0.0081 0.1557 0.068 Uiso d 1 H H2B 0.2906 0.1542 0.1072 0.068 Uiso d 1 N N3 0.6321(3) 0.2766(3) 0.1282(3) 0.0364(6) Uani d 1 H H3A 0.5865 0.3510 0.1402 0.044 Uiso d 1 N N4 0.8255(3) 0.4014(3) 0.0050(3) 0.0420(7) Uani d 1 H H4A 0.7682 0.4869 0.0247 0.050 Uiso d 1 H H4B 0.9106 0.3985 -0.0559 0.050 Uiso d 1 O O1 0.3642(2) 0.8181(2) 0.4445(2) 0.0311(5) Uani d 1 O O2 0.5682(2) 0.7174(2) 0.5748(2) 0.0261(4) Uani d 1 O O3 0.3449(2) 0.5595(2) 0.6846(2) 0.0227(4) Uani d 1 O O4 0.6085(2) 0.68828(19) 0.3161(2) 0.0221(4) Uani d 1 O O5 0.3982(2) 0.5418(2) 0.4318(2) 0.0220(4) Uani d 1 O O6 0.4239(3) 0.7885(2) 0.1543(3) 0.0359(5) Uani d 1 O O7 0.6672(3) 0.6623(2) 0.0436(2) 0.0354(5) Uani d 1 O O8 0.4421(2) 0.5072(2) 0.1854(2) 0.0271(4) Uani d 1 O O9 0.2213(3) 0.3414(3) 0.2861(3) 0.0421(6) Uani d 1 O O10 0.1749(3) 0.6046(3) 0.2891(3) 0.0397(5) Uani d 1 O O11 0.1854(2) 0.3819(2) 0.5446(2) 0.0301(5) Uani d 1 O O12 0.1156(3) 0.6308(3) 0.5894(3) 0.0411(6) Uani d 1 O O13 0.1120(2) 0.3904(3) 0.8224(3) 0.0411(6) Uani d 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 0.0393(17) 0.0298(16) 0.0365(17) -0.0053(13) -0.0138(14) -0.0086(13) C2 0.049(2) 0.0293(16) 0.056(2) -0.0012(14) -0.0201(18) -0.0216(16) C3 0.044(2) 0.053(2) 0.056(2) 0.0060(17) -0.0145(18) -0.033(2) C4 0.0359(19) 0.062(3) 0.041(2) -0.0100(17) -0.0109(16) -0.0116(18) C5 0.047(2) 0.0348(18) 0.047(2) -0.0135(15) -0.0167(17) -0.0038(16) C6 0.0369(16) 0.0312(15) 0.0249(15) 0.0011(13) -0.0082(12) -0.0112(12) C7 0.045(2) 0.046(2) 0.051(2) 0.0110(17) -0.0138(17) -0.0271(18) C8 0.081(3) 0.0318(18) 0.052(2) 0.0124(19) -0.030(2) -0.0188(17) C9 0.086(3) 0.037(2) 0.045(2) -0.017(2) -0.017(2) -0.0128(17) C10 0.055(2) 0.052(2) 0.039(2) -0.0182(18) -0.0002(17) -0.0218(18) Mo1 0.02045(12) 0.01403(11) 0.01832(12) -0.00128(8) -0.00153(9) -0.00576(8) Mo2 0.02766(13) 0.01659(12) 0.01735(12) -0.00261(9) -0.00371(9) -0.00405(9) Mo3 0.02477(13) 0.02705(13) 0.02726(14) -0.00377(9) -0.00695(10) -0.01100(10) Mo4 0.01784(12) 0.02699(13) 0.02699(13) -0.00287(9) -0.00024(9) -0.01276(10) N1 0.0440(17) 0.0228(13) 0.0490(18) -0.0023(12) -0.0146(14) -0.0069(12) N2 0.0444(19) 0.0344(17) 0.070(2) -0.0044(14) -0.0093(17) -0.0044(16) N3 0.0392(15) 0.0343(14) 0.0357(15) -0.0035(12) -0.0018(12) -0.0204(12) N4 0.0348(15) 0.0452(17) 0.0405(17) -0.0080(13) 0.0041(13) -0.0208(14) O1 0.0324(11) 0.0220(10) 0.0311(11) 0.0038(8) -0.0051(9) -0.0088(9) O2 0.0282(10) 0.0220(10) 0.0262(10) -0.0056(8) -0.0034(8) -0.0094(8) O3 0.0229(9) 0.0212(9) 0.0191(9) -0.0029(7) -0.0001(7) -0.0071(8) O4 0.0232(9) 0.0176(9) 0.0195(9) -0.0054(7) -0.0003(7) -0.0043(7) O5 0.0222(9) 0.0187(9) 0.0226(10) -0.0018(7) -0.0033(7) -0.0077(8) O6 0.0479(14) 0.0231(11) 0.0362(13) 0.0053(10) -0.0186(11) -0.0092(9) O7 0.0444(13) 0.0304(11) 0.0225(11) -0.0080(10) 0.0002(9) -0.0072(9) O8 0.0337(11) 0.0255(10) 0.0234(10) -0.0049(8) -0.0062(8) -0.0110(8) O9 0.0468(14) 0.0461(14) 0.0438(14) -0.0122(11) -0.0148(12) -0.0213(12) O10 0.0363(13) 0.0407(13) 0.0416(14) 0.0050(10) -0.0149(11) -0.0158(11) O11 0.0264(10) 0.0315(11) 0.0310(11) -0.0103(9) -0.0007(9) -0.0128(9) O12 0.0331(12) 0.0388(13) 0.0559(16) 0.0075(10) -0.0159(12) -0.0245(12) O13 0.0297(12) 0.0527(15) 0.0323(13) -0.0134(11) 0.0073(10) -0.0161(11) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle N2 C1 N1 . . 119.5(3) N2 C1 C2 . . 123.0(3) N1 C1 C2 . . 117.5(3) C3 C2 C1 . . 120.2(3) C3 C2 H2 . . 119.9 C1 C2 H2 . . 119.9 C2 C3 C4 . . 120.8(4) C2 C3 H3 . . 119.6 C4 C3 H3 . . 119.6 C5 C4 C3 . . 118.2(4) C5 C4 H4 . . 120.9 C3 C4 H4 . . 120.9 C4 C5 N1 . . 120.9(3) C4 C5 H5 . . 119.6 N1 C5 H5 . . 119.6 N4 C6 N3 . . 120.3(3) N4 C6 C7 . . 122.9(3) N3 C6 C7 . . 116.8(3) C8 C7 C6 . . 119.7(4) C8 C7 H7 . . 120.1 C6 C7 H7 . . 120.1 C7 C8 C9 . . 121.1(4) C7 C8 H8 . . 119.4 C9 C8 H8 . . 119.4 C10 C9 C8 . . 118.4(4) C10 C9 H9 . . 120.8 C8 C9 H9 . . 120.8 C9 C10 N3 . . 120.1(4) C9 C10 H10 . . 119.9 N3 C10 H10 . . 119.9 O1 Mo1 O2 . . 104.89(11) O1 Mo1 O3 . . 101.95(10) O2 Mo1 O3 . . 96.61(9) O1 Mo1 O4 . . 100.30(10) O2 Mo1 O4 . . 96.07(9) O3 Mo1 O4 . . 150.54(8) O1 Mo1 O5 . . 98.63(10) O2 Mo1 O5 . . 156.43(9) O3 Mo1 O5 . . 79.76(8) O4 Mo1 O5 . . 78.02(8) O1 Mo1 O5 . 2_666 174.39(10) O2 Mo1 O5 . 2_666 80.68(8) O3 Mo1 O5 . 2_666 77.71(7) O4 Mo1 O5 . 2_666 78.26(7) O5 Mo1 O5 . 2_666 75.78(8) O1 Mo1 Mo2 . . 89.33(8) O2 Mo1 Mo2 . . 132.10(7) O3 Mo1 Mo2 . . 125.33(6) O4 Mo1 Mo2 . . 36.03(6) O5 Mo1 Mo2 . . 45.58(5) O5 Mo1 Mo2 2_666 . 86.38(5) O6 Mo2 O7 . . 105.51(12) O6 Mo2 O8 . . 102.75(11) O7 Mo2 O8 . . 99.00(11) O6 Mo2 O4 . . 97.22(10) O7 Mo2 O4 . . 100.85(10) O8 Mo2 O4 . . 146.81(8) O6 Mo2 O5 . . 95.13(10) O7 Mo2 O5 . . 159.24(10) O8 Mo2 O5 . . 78.21(8) O4 Mo2 O5 . . 73.80(7) O6 Mo2 O3 . 2_666 164.83(10) O7 Mo2 O3 . 2_666 87.19(9) O8 Mo2 O3 . 2_666 82.97(8) O4 Mo2 O3 . 2_666 71.78(7) O5 Mo2 O3 . 2_666 72.07(7) O6 Mo2 Mo1 . . 85.70(8) O7 Mo2 Mo1 . . 136.39(9) O8 Mo2 Mo1 . . 119.83(7) O4 Mo2 Mo1 . . 35.54(5) O5 Mo2 Mo1 . . 41.62(5) O3 Mo2 Mo1 2_666 . 79.31(5) O9 Mo3 O10 . . 106.64(13) O9 Mo3 O11 . . 103.25(11) O10 Mo3 O11 . . 99.73(11) O9 Mo3 O8 . . 100.37(11) O10 Mo3 O8 . . 97.97(11) O11 Mo3 O8 . . 144.86(9) O9 Mo3 O2 . 2_666 91.17(11) O10 Mo3 O2 . 2_666 162.08(10) O11 Mo3 O2 . 2_666 77.47(9) O8 Mo3 O2 . 2_666 76.40(8) O9 Mo3 O5 . . 160.89(11) O10 Mo3 O5 . . 92.27(10) O11 Mo3 O5 . . 75.45(8) O8 Mo3 O5 . . 73.74(8) O2 Mo3 O5 2_666 . 69.84(7) O12 Mo4 O13 . . 105.45(13) O12 Mo4 O11 . . 100.95(12) O13 Mo4 O11 . . 102.81(11) O12 Mo4 O3 . . 96.03(11) O13 Mo4 O3 . . 102.08(11) O11 Mo4 O3 . . 144.74(9) O12 Mo4 O4 . 2_666 162.02(10) O13 Mo4 O4 . 2_666 90.34(10) O11 Mo4 O4 . 2_666 83.44(9) O3 Mo4 O4 . 2_666 71.81(7) O12 Mo4 O5 . . 92.99(10) O13 Mo4 O5 . . 161.26(10) O11 Mo4 O5 . . 76.32(8) O3 Mo4 O5 . . 72.11(7) O4 Mo4 O5 2_666 . 70.93(7) C5 N1 C1 . . 122.4(3) C5 N1 H1 . . 116.1 C1 N1 H1 . . 121.3 C1 N2 H2A . . 127.5 C1 N2 H2B . . 113.9 H2A N2 H2B . . 117.7 C6 N3 C10 . . 123.7(3) C6 N3 H3A . . 118.1 C10 N3 H3A . . 118.1 C6 N4 H4A . . 119.0 C6 N4 H4B . . 112.0 H4A N4 H4B . . 127.9 Mo1 O2 Mo3 . 2_666 117.09(10) Mo1 O3 Mo4 . . 110.54(9) Mo1 O3 Mo2 . 2_666 109.53(9) Mo4 O3 Mo2 . 2_666 102.72(8) Mo1 O4 Mo2 . . 108.43(9) Mo1 O4 Mo4 . 2_666 111.73(9) Mo2 O4 Mo4 . 2_666 104.07(8) Mo1 O5 Mo2 . . 92.80(7) Mo1 O5 Mo1 . 2_666 104.22(8) Mo2 O5 Mo1 . 2_666 98.06(7) Mo1 O5 Mo4 . . 91.37(7) Mo2 O5 Mo4 . . 163.63(10) Mo1 O5 Mo4 2_666 . 96.25(7) Mo1 O5 Mo3 . . 163.28(10) Mo2 O5 Mo3 . . 86.84(7) Mo1 O5 Mo3 2_666 . 92.37(7) Mo4 O5 Mo3 . . 84.65(6) Mo2 O8 Mo3 . . 114.94(10) Mo4 O11 Mo3 . . 117.91(11) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance C1 N2 . 1.311(5) C1 N1 . 1.353(4) C1 C2 . 1.395(5) C2 C3 . 1.343(6) C2 H2 . 0.9300 C3 C4 . 1.398(6) C3 H3 . 0.9300 C4 C5 . 1.342(6) C4 H4 . 0.9300 C5 N1 . 1.349(5) C5 H5 . 0.9300 C6 N4 . 1.327(4) C6 N3 . 1.337(4) C6 C7 . 1.420(5) C7 C8 . 1.353(6) C7 H7 . 0.9300 C8 C9 . 1.393(7) C8 H8 . 0.9300 C9 C10 . 1.351(6) C9 H9 . 0.9300 C10 N3 . 1.356(5) C10 H10 . 0.9300 Mo1 O1 . 1.688(2) Mo1 O2 . 1.749(2) Mo1 O3 . 1.9509(19) Mo1 O4 . 1.9622(19) Mo1 O5 . 2.1296(19) Mo1 O5 2_666 2.3635(19) Mo1 Mo2 . 3.2025(3) Mo2 O6 . 1.702(2) Mo2 O7 . 1.712(2) Mo2 O8 . 1.893(2) Mo2 O4 . 1.986(2) Mo2 O5 . 2.2902(19) Mo2 O3 2_666 2.342(2) Mo3 O9 . 1.695(2) Mo3 O10 . 1.698(2) Mo3 O11 . 1.913(2) Mo3 O8 . 1.955(2) Mo3 O2 2_666 2.290(2) Mo3 O5 . 2.427(2) Mo4 O12 . 1.685(2) Mo4 O13 . 1.703(2) Mo4 O11 . 1.888(2) Mo4 O3 . 2.008(2) Mo4 O4 2_666 2.324(2) Mo4 O5 . 2.4094(19) N1 H1 . 0.9414 N2 H2A . 0.9383 N2 H2B . 0.9627 N3 H3A . 0.8600 N4 H4A . 1.0272 N4 H4B . 0.8999 O2 Mo3 2_666 2.290(2) O3 Mo2 2_666 2.342(2) O4 Mo4 2_666 2.324(2) O5 Mo1 2_666 2.3635(19) loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA N1 H1 O10 1_545 0.94 2.31 3.033(4) 133.0 N2 H2A O6 1_545 0.94 2.12 2.946(4) 146.7 N2 H2B O7 2_665 0.96 1.94 2.893(4) 169.0 N3 H3A O8 . 0.86 2.08 2.925(3) 168.3 N4 H4A O7 . 1.03 1.97 2.999(4) 174.6 N4 H4B O13 1_654 0.90 2.05 2.949(4) 173.9 _cod_database_fobs_code 2021271