#------------------------------------------------------------------------------ #$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $ #$Revision: 1024 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225018.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_2225018_Fobs loop_ _publ_author_name 'Wang, Hao' 'Li, Shi-Jie' 'Song, Wen-Dong' 'Li, Xiao-Fei' 'Miao, Dong-Liang' _publ_section_title ; Poly[[aqua(\m~4~-1H-benzimidazole-5,6-dicarboxylato-\k^4^N^3^:O^5^:O^5'^:O^6^)(N,N-dimethylformamide-\kO)cadmium(II)] dihydrate] ; _journal_coeditor_code HY2275 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m209 _journal_page_last m210 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 102.760 _cell_angle_beta 97.700 _cell_angle_gamma 94.960 _cell_length_a 7.7729 _cell_length_b 9.1648 _cell_length_c 11.4580 _exptl_crystal_F_000 444.00 _reflns_d_resolution_high 0.8347 _[local]_cod_data_source_file hy2275Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cdp in P1 New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 212.90 _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 4 0 0 0.70 -9.19 14.84 o 5 0 0 430.58 356.92 39.29 o 6 0 0 1332.98 1333.21 48.01 o 7 0 0 0.48 10.86 19.67 o 8 0 0 146.87 56.63 47.79 o 9 0 0 146.88 26.63 55.42 o -9 1 0 3.28 -84.39 78.94 o -8 1 0 122.16 36.04 32.23 o -7 1 0 274.72 202.00 38.65 o -6 1 0 108.78 40.95 26.18 o -5 1 0 5352.00 5975.78 344.23 o -4 1 0 1191.24 1094.06 127.48 o -3 1 0 213.58 218.70 79.50 o -2 1 0 9031.00 8590.21 252.76 o -1 1 0 1227.48 1517.99 54.94 o 1 1 0 6412.77 5586.89 124.28 o 2 1 0 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