#------------------------------------------------------------------------------ #$Date: 2022-07-05 14:29:57 +0300 (Tue, 05 Jul 2022) $ #$Revision: 276567 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/72/1567221.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1567221 loop_ _publ_author_name 'Sharutin, V. V.' 'Sharutina, O. K.' 'Bondar', E. A.' 'Pakusina, A. P.' 'Adonin, N. Yu.' 'Starichenko, V. F.' 'Fukin, G. K.' 'Zakharov, L. N.' _publ_section_title ; Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures ; _journal_issue 6 _journal_name_full 'Russian Journal of Coordination Chemistry' _journal_page_first 393 _journal_page_last 397 _journal_paper_doi 10.1023/A:1011335724711 _journal_volume 27 _journal_year 2001 _chemical_formula_moiety 'C28 H28 N O3 Sb' _chemical_formula_sum 'C28 H28 N O3 Sb' _chemical_name_common ; Nitrato-tetra-p-tolyl-antimony(V) ; _chemical_name_systematic ; Nitrato-tetrakis(4-methylphenyl)antimony(V) ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_creation_method 'manually at INEOS RAS' _cell_angle_alpha 90 _cell_angle_beta 112.03(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.874(2) _cell_length_b 22.905(5) _cell_length_c 12.325(3) _cell_volume 2584.0(11) _diffrn_ambient_temperature 295 _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _exptl_crystal_density_diffrn 1.409 _refine_ls_R_factor_gt 0.040 _refine_ls_wR_factor_ref 0.101 _cod_data_source_file R18-19old.cif _cod_data_source_block compound_R18old _cod_original_cell_volume 2584(1) _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 1567221 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,-1/2-y,-1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sb(1) Sb 0.0027(1) 0.6537(1) 0.7452(1) 0.055(1) N(1) N -0.3180(6) 0.6300(2) 0.4724(4) 0.066(1) O(1) O -0.1877(5) 0.6265(2) 0.5308(3) 0.079(1) O(2) O -0.3994(5) 0.6635(2) 0.5008(4) 0.088(1) O(3) O -0.3713(5) 0.6000(2) 0.3820(4) 0.101(2) C(1) C 0.1715(6) 0.6679(2) 0.9100(4) 0.060(1) C(2) C 0.1540(7) 0.6623(3) 1.0162(5) 0.065(1) C(3) C 0.2660(7) 0.6798(3) 1.1186(5) 0.072(2) C(4) C 0.3944(6) 0.7040(3) 1.1218(5) 0.070(2) C(5) C 0.4112(7) 0.7092(4) 1.0160(6) 0.090(2) C(6) C 0.3023(7) 0.6906(3) 0.9114(6) 0.079(2) C(7) C 0.5082(7) 0.7266(3) 1.2314(5) 0.091(2) C(8) C -0.0732(6) 0.7398(2) 0.7054(4) 0.053(1) C(9) C -0.1423(6) 0.7605(3) 0.5920(5) 0.061(1) C(10) C -0.1854(7) 0.8170(3) 0.5758(6) 0.069(2) C(11) C -0.1653(6) 0.8555(2) 0.6667(5) 0.067(2) C(12) C -0.0971(7) 0.8344(3) 0.7791(6) 0.069(2) C(13) C -0.0486(7) 0.7778(3) 0.7983(5) 0.069(2) C(14) C -0.2184(10) 0.9182(3) 0.6469(7) 0.110(3) C(15) C -0.1396(6) 0.5974(2) 0.7845(4) 0.056(1) C(16) C -0.0875(7) 0.5458(3) 0.8431(5) 0.069(2) C(17) C -0.1816(8) 0.5087(3) 0.8685(5) 0.076(2) C(18) C -0.3258(8) 0.5217(3) 0.8375(5) 0.074(2) C(19) C -0.3755(8) 0.5724(4) 0.7811(5) 0.075(2) C(20) C -0.2842(7) 0.6111(3) 0.7543(5) 0.065(1) C(21) C -0.4285(8) 0.4795(3) 0.8635(6) 0.103(2) C(22) C 0.1144(5) 0.6189(2) 0.6453(4) 0.056(1) C(23) C 0.1870(7) 0.6550(3) 0.5967(5) 0.063(1) C(24) C 0.2569(7) 0.6305(3) 0.5286(5) 0.069(2) C(25) C 0.2557(6) 0.5721(3) 0.5095(5) 0.072(2) C(26) C 0.1858(8) 0.5367(3) 0.5609(6) 0.082(2) C(27) C 0.1143(7) 0.5591(3) 0.6283(5) 0.071(2) C(28) C 0.3277(9) 0.5464(4) 0.4309(7) 0.123(3)