#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015677.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_2015677_Fobs loop_ _publ_author_name 'Zhang, Xian-Fa' 'Gao, Shan' 'Huo, Li-Hua' 'Zhao, Hui' _publ_section_title ; A three-dimensional lead(II) coordination polymer: poly[aqua-\m-imidazole-4,5-dicarboxylato-lead(II)] ; _journal_coeditor_code BG3021 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m617 _journal_page_last m619 _journal_volume 62 _journal_year 2006 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.767 _cell_angle_gamma 90.000 _cell_length_a 7.0301 _cell_length_b 15.7069 _cell_length_c 6.9680 _exptl_crystal_F_000 680.00 _reflns_d_resolution_high 0.7703 _[local]_cod_data_source_file bg3021Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' s in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 308.97 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 83170.38 63715.03 3481.01 o 3 0 0 14699.91 15380.32 501.60 o 4 0 0 40641.94 41632.50 1959.45 o 5 0 0 8382.58 9217.82 375.56 o 6 0 0 17884.11 19199.38 787.84 o 7 0 0 8083.21 8088.49 334.46 o 8 0 0 7261.12 7607.36 429.03 o 1 1 0 18593.94 19373.99 376.59 o 2 1 0 6851.02 7292.30 241.96 o 3 1 0 9934.90 9635.07 296.20 o 4 1 0 4055.13 4353.96 101.58 o 5 1 0 9274.00 9921.57 247.38 o 6 1 0 1239.20 1297.73 102.30 o 7 1 0 2387.43 2550.33 100.76 o 8 1 0 2155.43 2269.59 103.49 o 1 2 0 2367.42 2582.80 58.76 o 2 2 0 10809.47 11655.39 227.74 o 3 2 0 631.49 715.78 44.03 o 4 2 0 12143.77 12269.48 324.69 o 5 2 0 2053.46 2258.54 71.32 o 6 2 0 4037.25 4430.50 156.63 o 7 2 0 3208.76 3277.52 117.81 o 8 2 0 1009.02 1206.00 130.90 o 1 3 0 63326.97 56719.69 1911.21 o 2 3 0 3508.70 3679.31 99.17 o 3 3 0 62005.02 62422.88 2391.15 o 4 3 0 2691.95 2636.15 67.72 o 5 3 0 32590.91 33221.03 1056.68 o 6 3 0 13554.06 14100.30 386.99 o 7 3 0 14608.54 15285.02 519.50 o 8 3 0 6462.40 6445.73 215.65 o 0 4 0 12264.25 12414.18 240.61 o 1 4 0 34.24 62.42 5.43 o 2 4 0 13308.04 14297.21 270.69 o 3 4 0 729.60 829.74 32.50 o 4 4 0 4841.09 4769.67 120.13 o 5 4 0 1607.76 1568.56 56.61 o 6 4 0 408.15 484.43 42.83 o 7 4 0 2707.84 2742.60 105.00 o 8 4 0 331.83 327.88 113.85 o 1 5 0 28334.73 28228.19 603.54 o 2 5 0 1437.18 1413.01 30.53 o 3 5 0 11780.15 12123.23 235.41 o 4 5 0 158.97 162.92 18.19 o 5 5 0 6623.08 6444.54 156.91 o 6 5 0 2883.88 2963.50 100.96 o 7 5 0 4585.43 4652.53 150.33 o 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