#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/49/2204958.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_2204958_Fobs loop_ _publ_author_name 'Zhou, You-Fu' 'Wu, Ben-Lai' 'Han, Lei' 'Hong, Mao-Chun' _publ_section_title ; Poly[[diaqua(\m~6~-1,3,5-benzenetricarboxylato)tricadmium(II)] dihydrate] ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m160 _journal_page_last m163 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 62.979 _cell_angle_beta 79.162 _cell_angle_gamma 78.385 _cell_length_a 6.5573 _cell_length_b 9.5294 _cell_length_c 9.8799 _exptl_crystal_F_000 394.00 _reflns_d_resolution_high 0.8397 _[local]_cod_data_source_file rz6029Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sad in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 132.52 _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 1 0 0 25.42 48.56 8.31 o 2 0 0 15075.69 16445.04 574.81 o 3 0 0 10878.41 11355.16 211.64 o 4 0 0 2121.84 2232.44 81.80 o 5 0 0 878.58 767.78 64.57 o 6 0 0 504.22 638.19 60.68 o 7 0 0 655.82 705.35 70.88 o -7 1 0 1026.50 1176.75 95.10 o -6 1 0 91.65 75.03 42.94 o -5 1 0 712.44 818.14 58.15 o -4 1 0 4169.07 3594.98 199.37 o -3 1 0 4247.62 4439.64 89.73 o -2 1 0 7201.16 7670.24 142.63 o -1 1 0 6588.02 6709.96 100.46 o 0 1 0 14160.44 14408.98 209.94 o 1 1 0 1945.46 2083.24 85.93 o 2 1 0 8112.43 8827.56 163.33 o 3 1 0 12950.49 13972.04 659.14 o 4 1 0 417.11 458.31 24.14 o 5 1 0 355.79 355.60 28.79 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