#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2219641.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_2219641_Fobs loop_ _publ_author_name 'Zhai, Bin' 'Zhang, Xiangfei' 'Xu, Maotian' _publ_section_title ; A novel double-chain silver(I) coordination polymer: catena-poly[[[\m-aqua-aquadisilver(I)]-bis(\m~3~-5-methylpyrazine-2-carboxylato)] dihydrate] ; _journal_coeditor_code KJ2095 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1312 _journal_page_last m1313 _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 107.503 _cell_angle_beta 100.185 _cell_angle_gamma 103.164 _cell_length_a 6.9481 _cell_length_b 10.1827 _cell_length_c 13.4825 _exptl_crystal_F_000 552.00 _reflns_d_resolution_high 0.8400 _[local]_cod_data_source_file kj2095Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 080116A in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 305.67 _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 0 188.24 214.20 7.40 o 2 0 0 452.93 546.57 19.39 o 3 0 0 244.16 241.22 12.74 o 4 0 0 1068.96 1161.71 17.39 o 5 0 0 1513.22 1393.42 31.25 o 6 0 0 137.08 146.02 13.20 o 7 0 0 524.30 512.16 35.94 o -7 1 0 417.43 376.10 30.17 o -6 1 0 1.37 2.79 8.58 o -5 1 0 1703.82 1734.44 35.53 o -4 1 0 56.51 57.99 6.10 o -3 1 0 275.12 221.64 9.05 o -2 1 0 2524.95 2579.17 35.79 o -1 1 0 2213.58 2187.63 39.50 o 0 1 0 25987.90 18285.56 287.71 o 1 1 0 1472.69 1516.66 21.89 o 2 1 0 8.72 7.28 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