#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/49/2214916.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_2214916_Fobs loop_ _publ_author_name 'Lin, Yuan-Yuan' 'Chen, Guang-Hua' 'Yu, Yan-Ping' 'Liu, Bing-Xin' _publ_section_title ; Bis(\m-pyridine-2,3-dicarboxylato)bis[aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)cobalt(II)] decahydrate ; _journal_coeditor_code XU2294 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2178 _journal_page_last m2179 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.269 _cell_angle_beta 82.864 _cell_angle_gamma 87.713 _cell_length_a 8.1415 _cell_length_b 11.2685 _cell_length_c 12.0084 _exptl_crystal_F_000 546.00 _reflns_d_resolution_high 0.8404 _[local]_cod_data_source_file xu2294Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' yyl39' _shelx_refln_list_code 4 _shelx_f_calc_maximum 193.50 _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 13427.54 13114.06 141.29 o 2 0 0 1341.40 1322.51 18.80 o 3 0 0 4050.68 4111.11 55.59 o 4 0 0 3568.38 3535.55 50.07 o 5 0 0 587.59 576.17 23.65 o 6 0 0 192.28 184.96 19.43 o 7 0 0 138.97 125.60 16.42 o 8 0 0 59.78 64.98 18.31 o 9 0 0 111.95 104.23 25.10 o -9 1 0 162.18 213.70 34.03 o -8 1 0 212.78 209.87 22.88 o -7 1 0 638.21 652.07 35.08 o -6 1 0 335.98 367.80 29.19 o -5 1 0 44.64 66.48 10.29 o -4 1 0 1964.60 1945.13 30.45 o -3 1 0 1516.16 1337.58 21.40 o -2 1 0 1.89 -0.59 3.49 o -1 1 0 190.27 211.62 15.36 o 1 1 0 108.91 123.55 5.41 o 2 1 0 753.80 700.99 23.30 o 3 1 0 235.37 210.71 9.00 o 4 1 0 2082.88 2179.85 42.94 o 5 1 0 150.10 197.27 21.95 o 6 1 0 916.24 930.83 45.81 o 7 1 0 196.98 204.29 27.99 o 8 1 0 411.65 401.41 40.22 o 9 1 0 0.73 7.20 9.75 o -9 2 0 71.15 95.92 27.89 o -8 2 0 114.33 129.60 21.65 o -7 2 0 40.97 48.93 10.83 o -6 2 0 25.57 20.98 7.74 o -5 2 0 18.91 12.24 7.63 o -4 2 0 6743.71 6519.68 89.30 o -3 2 0 131.02 142.91 6.88 o -2 2 0 3699.37 3710.81 110.60 o -1 2 0 300.60 317.66 9.71 o 0 2 0 412.24 399.76 14.26 o 1 2 0 206.06 243.31 12.01 o 2 2 0 2357.85 2236.65 49.64 o 3 2 0 925.42 1012.09 35.38 o 4 2 0 174.01 162.38 18.27 o 5 2 0 2148.05 2146.38 66.33 o 6 2 0 371.02 381.90 29.34 o 7 2 0 67.72 66.67 17.48 o 8 2 0 24.35 8.37 9.72 o 9 2 0 390.28 430.22 45.47 o -9 3 0 1.96 4.39 7.67 o -8 3 0 467.27 519.13 29.94 o -7 3 0 33.55 55.75 11.22 o -6 3 0 104.71 108.96 20.26 o -5 3 0 250.77 225.64 17.37 o -4 3 0 7.67 7.41 2.23 o -3 3 0 1797.94 1748.78 23.45 o -2 3 0 1310.35 1246.76 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