#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:29:21 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181243 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/21/2232105.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_2232105_Fobs loop_ _publ_author_name 'Lush, Shie Fu' 'Shen, Fwu Ming' _publ_section_title ; Poly[[aquatris(\m~4~-benzene-1,2-dicarboxylato)dilanthanum(III)] hemihydrate] ; _journal_coeditor_code XU5316 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1370 _journal_page_last m1371 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 97.271 _cell_angle_beta 102.199 _cell_angle_gamma 104.489 _cell_length_a 8.6269 _cell_length_b 10.5832 _cell_length_c 14.3230 _exptl_crystal_F_000 762.00 _reflns_d_resolution_high 0.8397 _cod_data_source_file xu5316Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a8453_0m in P-1 New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 239.82 _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 0 950.28 855.59 52.19 o 2 0 0 23943.49 24920.51 1027.89 o 3 0 0 22.83 44.67 38.11 o 4 0 0 677.96 677.41 80.84 o 5 0 0 1336.50 1349.79 118.95 o 6 0 0 12941.37 13659.41 630.92 o 7 0 0 3081.96 3255.18 219.94 o 8 0 0 5083.96 4980.87 299.08 o 9 0 0 2604.47 2547.73 204.40 o -9 1 0 2500.54 2468.53 92.04 o -8 1 0 1727.01 1754.57 111.49 o -7 1 0 1065.08 956.78 62.78 o -6 1 0 702.39 632.89 52.32 o -5 1 0 12.94 -3.31 11.36 o -4 1 0 27116.68 27107.43 598.62 o -3 1 0 128.02 87.30 14.01 o -2 1 0 16305.12 16698.16 370.05 o -1 1 0 307.90 269.54 12.06 o 0 1 0 5269.43 5326.59 200.56 o 1 1 0 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