#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:29:44 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181056 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/36/2213614.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_2213614_Fobs loop_ _publ_author_name 'Cui, Ji-Chun' 'Yin, Han-Dong' 'Qiao, Yan-Ling' _publ_section_title ; Bis[\m-1-pyruvic acid (4-chlorobenzoyl)hydrazonato(2{-})]bis[ethanoldimethyltin(IV)] ; _journal_coeditor_code XU2230 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1358 _journal_page_last m1359 _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 107.846 _cell_angle_beta 105.757 _cell_angle_gamma 99.499 _cell_length_a 7.8870 _cell_length_b 10.4730 _cell_length_c 11.7530 _exptl_crystal_F_000 432.00 _reflns_d_resolution_high 0.8408 _cod_data_source_file xu2230Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070112c in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 204.09 _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 15366.62 15988.21 404.42 o 3 0 0 1863.13 1938.35 80.17 o 4 0 0 544.21 516.95 44.70 o 5 0 0 915.94 874.16 64.60 o 6 0 0 236.45 227.35 52.37 o 7 0 0 0.51 74.58 37.10 o 8 0 0 0.73 56.88 37.57 o -7 1 0 676.43 650.93 50.55 o -5 1 0 838.09 702.77 60.18 o -4 1 0 2032.12 1935.97 92.25 o -3 1 0 8166.72 9124.96 262.37 o -2 1 0 41651.72 42525.84 1049.90 o -1 1 0 11122.47 11655.78 278.27 o 1 1 0 1210.81 1294.70 43.64 o 2 1 0 944.53 833.38 34.28 o 3 1 0 760.45 788.07 47.68 o 4 1 0 235.41 220.23 30.80 o 5 1 0 406.71 431.47 44.40 o 6 1 0 286.13 364.17 60.29 o 7 1 0 160.88 240.12 57.13 o 8 1 0 51.15 109.68 51.69 o -8 2 0 277.19 294.23 35.97 o -7 2 0 427.07 388.23 39.54 o -6 2 0 282.33 220.85 45.86 o -5 2 0 1410.69 1318.90 85.44 o -4 2 0 11572.61 11877.21 347.51 o -3 2 0 1996.91 2020.94 89.02 o -2 2 0 2440.21 2339.38 58.29 o -1 2 0 789.98 753.55 18.26 o 0 2 0 69.00 60.91 11.18 o 1 2 0 79.74 129.21 27.57 o 2 2 0 442.56 399.01 34.18 o 3 2 0 3078.06 3292.03 75.81 o 4 2 0 1076.79 1039.31 60.35 o 5 2 0 948.88 907.25 61.46 o 6 2 0 565.90 553.36 55.76 o 7 2 0 280.54 485.48 76.30 o -9 3 0 77.96 82.70 61.90 o -8 3 0 129.62 123.05 30.18 o -7 3 0 192.56 150.29 30.94 o -6 3 0 659.04 555.87 62.73 o -5 3 0 43.19 29.48 24.46 o -4 3 0 322.52 317.38 41.78 o -3 3 0 90.36 84.95 18.53 o -2 3 0 1190.64 1154.83 39.46 o -1 3 0 9.74 -4.56 11.56 o 0 3 0 1239.52 1213.10 39.98 o 1 3 0 6286.10 6524.71 177.31 o 2 3 0 1853.52 1946.82 77.02 o 3 3 0 3066.36 2940.83 119.79 o 4 3 0 2105.96 2070.24 92.76 o 5 3 0 878.86 943.70 67.88 o 6 3 0 570.94 560.12 59.29 o 7 3 0 151.28 195.02 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