#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/49/2204951.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_2204951_Fobs loop_ _publ_author_name 'Zhang, Zhang-Jing' 'Zheng, Fa-Kun' 'Fu, Ming-Lai' 'Guo, Guo-Cong' 'Huang, Jin-Shun' _publ_section_title ; A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m89 _journal_page_last m91 _journal_volume 61 _journal_year 2005 _space_group_IT_number 182 _symmetry_space_group_name_Hall 'P 6c 2c' _symmetry_space_group_name_H-M 'P 63 2 2' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 11.2374 _cell_length_b 11.2374 _cell_length_c 24.6482 _exptl_crystal_F_000 1572.00 _reflns_d_resolution_high 0.8400 _[local]_cod_data_source_file rz6010Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 182 in P6(3)22' _shelx_refln_list_code 4 _shelx_f_calc_maximum 822.76 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-y, -x, -z+1/2' '-x+y, y, -z+1/2' 'x, x-y, -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 4 0 634.04 282.84 162.23 o -1 5 0 79128.82 88849.35 2556.14 o 0 5 0 35740.59 33107.40 1247.19 o -3 6 0 19.68 -48.14 187.00 o -2 6 0 14588.75 17082.13 887.86 o -1 6 0 381.91 282.02 183.06 o 0 6 0 73.25 456.36 358.80 o -3 7 0 9575.34 8103.38 721.36 o -2 7 0 270.70 592.36 302.12 o -1 7 0 11086.87 10693.54 834.23 o 0 7 0 32274.32 34459.13 1939.87 o -4 8 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