#------------------------------------------------------------------------------ #$Date: 2019-05-17 13:39:09 +0300 (Fri, 17 May 2019) $ #$Revision: 215245 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021625.hkl $ #------------------------------------------------------------------------------ # # 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_2021625 _cell_angle_alpha 90.821 _cell_angle_beta 91.089 _cell_angle_gamma 92.278 _cell_length_a 10.2700 _cell_length_b 11.9701 _cell_length_c 12.5459 _exptl_crystal_F_000 652.00 _reflns_d_resolution_high 0.8404 _cod_data_source_file fn33011901754sup2.hkl _cod_data_source_block 1901754 _shelx_title ' 170312e in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 186.63 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 6316.56 10863.08 552.96 o 3 0 0 21560.23 29476.53 169.61 o 4 0 0 616.11 793.53 39.14 o 5 0 0 7.05 12.99 5.39 o 6 0 0 172.21 177.53 11.57 o 7 0 0 65.80 53.76 12.12 o 8 0 0 339.49 357.89 27.70 o 9 0 0 348.94 331.30 26.82 o 10 0 0 231.16 266.41 40.57 o 11 0 0 39.79 49.48 27.33 o 12 0 0 1.25 7.19 21.29 o -12 1 0 17.58 40.28 30.50 o -11 1 0 4.60 18.70 25.03 o -10 1 0 652.64 726.96 43.61 o -9 1 0 139.84 166.99 21.08 o -8 1 0 173.41 157.00 19.32 o -7 1 0 414.56 483.27 29.35 o -6 1 0 243.25 238.54 16.40 o -5 1 0 44.69 22.98 5.63 o -4 1 0 999.83 1157.17 63.44 o -3 1 0 110.86 66.08 8.54 o -2 1 0 44.72 39.97 5.79 o -1 1 0 2360.88 5412.21 65.31 o 1 1 0 3247.10 3054.79 303.95 o 2 1 0 2421.08 3656.46 57.73 o 3 1 0 14107.84 18600.80 424.87 o 4 1 0 1085.76 1161.75 24.34 o 5 1 0 160.77 127.36 10.06 o 6 1 0 3142.17 3969.59 75.16 o 7 1 0 405.86 449.54 26.88 o 8 1 0 217.12 277.53 26.32 o 9 1 0 415.11 492.25 53.80 o 10 1 0 373.26 421.48 53.22 o 11 1 0 27.06 26.18 25.89 o 12 1 0 0.06 7.48 25.32 o -12 2 0 8.49 11.22 22.15 o -11 2 0 44.67 57.94 34.38 o -10 2 0 127.19 152.46 22.77 o -9 2 0 115.83 123.89 20.34 o -8 2 0 500.56 420.71 30.06 o -7 2 0 62.76 63.43 13.18 o -6 2 0 1211.40 1495.58 52.36 o -5 2 0 878.24 869.46 34.18 o -4 2 0 2689.12 3446.41 99.40 o -3 2 0 6.31 11.62 5.57 o -2 2 0 1719.27 2533.77 115.94 o -1 2 0 263.22 763.54 44.31 o 0 2 0 11798.02 10256.79 108.46 o 1 2 0 9.33 85.72 7.61 o 2 2 0 359.58 469.26 24.60 o 3 2 0 5832.27 7224.17 163.64 o 4 2 0 119.63 112.99 10.84 o 5 2 0 75.52 75.43 8.92 o 6 2 0 172.71 199.34 15.79 o 7 2 0 1301.55 1342.22 52.87 o 8 2 0 4.07 23.02 21.29 o 9 2 0 371.01 423.78 52.65 o 10 2 0 250.49 272.74 44.59 o 11 2 0 41.49 54.95 25.89 o 12 2 0 1.68 29.35 31.07 o -12 3 0 1.11 14.38 20.71 o -11 3 0 0.56 -5.53 11.05 o -10 3 0 84.07 90.30 20.02 o -9 3 0 70.72 68.57 16.83 o -8 3 0 187.93 225.66 24.41 o -7 3 0 647.38 734.75 38.39 o -6 3 0 1283.57 1531.54 70.63 o -5 3 0 1374.70 1766.51 51.22 o -4 3 0 771.57 1017.74 103.43 o -3 3 0 535.90 553.25 33.95 o -2 3 0 77.53 16.60 5.03 o -1 3 0 673.31 477.87 24.17 o 0 3 0 6029.52 5447.60 82.86 o 1 3 0 4226.57 5503.12 90.63 o 2 3 0 30.32 16.97 4.51 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0 24.93 52.07 23.02 o -3 10 0 86.61 156.51 36.83 o -2 10 0 104.49 105.59 27.04 o -1 10 0 446.02 423.21 45.17 o 0 10 0 21.44 62.72 22.73 o 2 10 0 24.50 31.36 27.04 o 3 10 0 0.85 7.77 18.13 o 4 10 0 7.08 19.56 19.85 o 5 10 0 2.91 7.77 19.56 o 6 10 0 33.40 48.33 25.89 o 7 10 0 130.70 139.25 37.98 o 8 10 0 28.27 56.96 29.63 o -8 11 0 146.73 153.63 35.67 o -7 11 0 199.45 263.82 44.02 o -6 11 0 25.58 21.29 22.44 o -5 11 0 104.66 139.25 32.80 o -4 11 0 0.33 27.91 23.30 o -3 11 0 0.79 22.44 22.15 o -2 11 0 331.29 327.69 42.58 o -1 11 0 640.26 623.45 58.12 o 0 11 0 131.60 114.50 29.92 o 1 11 0 1104.49 1007.24 73.94 o 2 11 0 54.48 60.42 27.04 o 3 11 0 104.04 102.13 30.21 o 4 11 0 322.63 397.89 54.66 o 5 11 0 36.92 42.87 24.74 o 6 11 0 65.15 49.48 27.62 o 7 11 0 108.98 138.96 39.99 o -6 12 0 62.70 63.87 34.81 o -5 12 0 0.45 -12.08 28.19 o -4 12 0 61.04 55.24 27.04 o -3 12 0 16.68 9.78 21.58 o -2 12 0 135.70 129.18 33.95 o -1 12 0 549.49 464.92 50.35 o 0 12 0 241.64 218.08 39.70 o 1 12 0 36.43 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