#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015698.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_2015698_Fobs loop_ _publ_author_name 'Chen, Wen-Tong' 'Zeng, Xi-Rui' 'Fang, Xiao-Niu' 'Li, Xin-Fa' 'Kuang, Han-Mao' _publ_section_title ; 4,4'-Bipyridinium tetrabromocadmate(II) with strong fluorescence ; _journal_coeditor_code LN3023 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m571 _journal_page_last m573 _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 106.684 _cell_angle_gamma 90.000 _cell_length_a 7.8518 _cell_length_b 20.7951 _cell_length_c 9.9867 _exptl_crystal_F_000 1088.00 _reflns_d_resolution_high 0.8301 _[local]_cod_data_source_file ln3023Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 14 in P2(1)/c (4,4'-bpyH2)(CdBr4)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 353.06 _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 15191.16 14316.54 821.48 o 3 0 0 14771.75 16921.67 987.07 o 4 0 0 37380.13 39691.17 3244.04 o 5 0 0 939.16 807.11 176.93 o 6 0 0 2170.88 1972.81 631.80 o 7 0 0 3984.41 3527.96 807.85 o 8 0 0 855.51 753.54 347.74 o 9 0 0 198.71 84.91 137.97 o 3 1 0 40240.43 39352.03 1392.06 o 4 1 0 1864.88 2059.39 210.39 o 5 1 0 2679.23 2532.95 229.10 o 6 1 0 6.29 53.60 63.19 o 7 1 0 2340.58 1840.96 355.78 o 8 1 0 26.78 31.45 129.39 o 9 1 0 698.29 257.34 222.14 o 1 2 0 5.93 12.99 9.70 o 2 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