#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018165.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_2018165_Fobs loop_ _publ_author_name 'L\"u, Xue' 'Ren, Zhi-Gang' 'Zheng, Ai-Xia' 'Zhang, Liang' 'Lang, Jian-Ping' _publ_section_title ; Bis(acetonitrile-\kN)bis[hydridotris(3,5-dimethylpyrazol-1-yl-\kN^2^)borato]di-\m~3~-sulfido-tetra-\m~2~-sulfido-di-\m~2~-thiocyanato-\k^2^N:S;\k^2^S:N-tetracopper(I)ditungsten(VI) ; _journal_coeditor_code YF3004 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m241 _journal_page_last m244 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 92.210 _cell_angle_beta 93.730 _cell_angle_gamma 112.330 _cell_length_a 9.3349 _cell_length_b 9.9540 _cell_length_c 15.5470 _exptl_crystal_F_000 780.00 _reflns_d_resolution_high 0.7699 _[local]_cod_data_source_file yf3004Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' t R = New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 233.97 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_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 4596.01 5044.68 231.83 o 3 0 0 548.73 600.19 50.90 o 4 0 0 6597.25 6568.47 133.26 o 5 0 0 12536.23 12372.34 271.07 o 6 0 0 6512.84 6739.96 331.44 o 7 0 0 229.27 187.02 69.94 o 8 0 0 1095.42 1171.56 93.43 o 9 0 0 599.78 651.45 158.26 o 10 0 0 3856.78 4052.66 298.32 o 11 0 0 716.08 578.37 151.99 o -11 1 0 282.00 275.95 151.06 o -10 1 0 38.20 70.59 126.20 o -9 1 0 1222.23 1218.95 173.36 o -8 1 0 214.47 203.28 69.75 o -7 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