#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:16:55 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180994 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/74/2207466.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_2207466_Fobs loop_ _publ_author_name 'Zhou, Hong-Bin' 'Li, Ming-Tian' 'Shi, Shao-Min' _publ_section_title ; Hexaaquacadmium(II) tetraaquabis(hexamethylenetetramine)cadmium(II) tetrakis(4-aminonaphthalene-1-sulfonate) hexahydrate ; _journal_coeditor_code BV6040 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2749 _journal_page_last m2751 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 109.400 _cell_angle_beta 103.369 _cell_angle_gamma 90.738 _cell_length_a 9.5324 _cell_length_b 13.6579 _cell_length_c 14.4179 _exptl_crystal_F_000 868.00 _reflns_d_resolution_high 0.7696 _cod_data_source_file bv6040Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1224cm in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 214.99 _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 0 998.72 674.11 207.76 o 2 0 0 22045.18 16033.42 5792.43 o 3 0 0 54.80 32.68 13.21 o 4 0 0 4232.68 3820.84 606.30 o 5 0 0 1882.89 1917.84 28.43 o 6 0 0 161.63 136.69 14.44 o 7 0 0 0.90 -0.99 7.93 o 8 0 0 91.58 74.35 13.83 o 9 0 0 148.69 123.72 21.59 o 10 0 0 630.04 593.67 39.94 o 11 0 0 80.10 90.84 23.30 o -11 1 0 457.42 454.06 38.83 o -10 1 0 92.68 118.36 22.84 o -9 1 0 1834.36 1009.58 533.74 o -8 1 0 153.26 133.93 15.76 o -7 1 0 1507.97 1453.59 37.92 o -6 1 0 160.79 150.58 14.26 o -5 1 0 666.29 613.06 21.67 o -4 1 0 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