#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:13:35 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180833 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/64/2016447.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_2016447_Fobs loop_ _publ_author_name 'Qin, Chao' 'Wang, Xin-Long' 'Wang, En-Bo' _publ_section_title ; catena-Poly[[[(benzene-1,3,5-tricarboxylic acid)(1,10-phenanthroline)cadmium(II)]-\m-oxalato] 1H-benzotriazole solvate monohydrate] ; _journal_coeditor_code SF3065 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m73 _journal_page_last m75 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 87.860 _cell_angle_beta 73.280 _cell_angle_gamma 84.630 _cell_length_a 9.4531 _cell_length_b 10.8690 _cell_length_c 14.1000 _exptl_crystal_F_000 732.00 _reflns_d_resolution_high 0.7700 _cod_data_source_file sf3065Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' WWW in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 313.93 _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 0 487.99 510.10 46.04 o 3 0 0 1015.82 1007.09 37.62 o 4 0 0 2099.94 1920.96 51.27 o 5 0 0 875.46 915.07 61.80 o 6 0 0 4204.14 3955.56 102.21 o 7 0 0 135.76 206.82 103.11 o 8 0 0 1041.17 1028.11 68.13 o 9 0 0 269.73 317.74 55.62 o 10 0 0 4.66 54.62 45.08 o 11 0 0 11.57 162.38 230.82 o -11 1 0 1.07 29.13 48.11 o -10 1 0 287.68 271.82 60.54 o -9 1 0 190.89 166.33 65.51 o -8 1 0 598.95 658.95 55.96 o -7 1 0 741.62 810.92 71.57 o -6 1 0 2613.35 2724.62 66.89 o -5 1 0 1666.25 1663.98 44.37 o -4 1 0 1680.28 1672.19 85.45 o -3 1 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