#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2218261.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_2218261_Fobs loop_ _publ_author_name 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; Cyclopentyldiphenyl(4-thiosemicarbazonopentanoato-\kO)tin(IV) ; _journal_coeditor_code TK2255 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m722 _journal_page_last m723 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 86.901 _cell_angle_beta 83.370 _cell_angle_gamma 63.667 _cell_length_a 9.5780 _cell_length_b 10.2375 _cell_length_c 13.4205 _exptl_crystal_F_000 540.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file tk2255Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 178.49 _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 5351.67 4484.22 74.75 o 2 0 0 445.11 318.10 6.00 o 3 0 0 440.76 342.19 6.92 o 4 0 0 4033.93 4069.04 48.90 o 5 0 0 5375.03 5525.42 66.35 o 6 0 0 6143.06 6221.84 61.27 o 7 0 0 61.47 70.52 2.77 o 8 0 0 910.83 899.32 15.70 o 9 0 0 1377.91 1398.34 22.67 o 10 0 0 537.39 521.79 12.05 o 11 0 0 342.16 324.98 15.23 o -10 1 0 856.75 843.95 25.54 o -9 1 0 1979.32 1963.21 29.99 o -8 1 0 1190.82 1219.25 20.02 o -7 1 0 137.99 141.36 13.86 o -6 1 0 98.92 115.12 6.53 o -5 1 0 2036.20 2134.13 22.41 o -4 1 0 10810.52 11077.50 108.28 o -3 1 0 2602.31 2324.63 22.59 o -2 1 0 185.54 149.10 2.23 o -1 1 0 833.44 1044.57 14.34 o 0 1 0 10440.47 9743.76 638.69 o 1 1 0 3145.99 3401.54 73.07 o 3 1 0 149.99 45.18 2.77 o 4 1 0 3345.65 4159.57 77.51 o 5 1 0 918.74 824.70 11.75 o 6 1 0 2355.71 2492.13 31.61 o 7 1 0 1881.41 1887.32 25.11 o 8 1 0 1044.53 1066.30 16.00 o 9 1 0 19.06 5.72 8.01 o 10 1 0 878.94 895.23 18.74 o 11 1 0 444.16 442.28 11.33 o -10 2 0 29.04 24.35 6.26 o -9 2 0 212.08 218.22 12.06 o -8 2 0 1768.73 1816.88 27.78 o -7 2 0 1847.76 1900.69 42.48 o -6 2 0 301.68 308.69 5.34 o -5 2 0 648.45 659.80 7.26 o -4 2 0 1016.51 1123.48 10.83 o -3 2 0 2037.50 2002.06 17.76 o -2 2 0 9682.61 9858.15 114.23 o -1 2 0 10541.24 11238.87 116.54 o 0 2 0 509.96 484.34 7.15 o 1 2 0 50.09 28.61 1.06 o 2 2 0 6884.89 7093.59 85.58 o 3 2 0 4602.17 4128.19 85.19 o 4 2 0 2897.14 3451.20 64.27 o 5 2 0 2054.94 2038.72 39.94 o 6 2 0 1286.18 1262.69 26.89 o 7 2 0 3379.54 3478.60 43.34 o 8 2 0 3365.39 3442.82 43.58 o 9 2 0 727.78 745.34 20.80 o 10 2 0 195.43 195.27 10.48 o 11 2 0 28.33 31.14 9.39 o -9 3 0 103.43 92.01 9.16 o 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399.02 6.33 o 0 10 0 311.28 307.30 5.39 o 1 10 0 67.10 83.18 2.92 o 2 10 0 2826.30 2766.40 32.91 o 3 10 0 1322.52 1302.29 16.02 o 4 10 0 1038.00 1012.03 13.32 o 5 10 0 243.18 249.65 5.54 o 6 10 0 184.51 184.30 4.87 o 7 10 0 811.64 863.55 14.66 o 8 10 0 1735.12 1598.97 23.36 o 9 10 0 1121.44 1047.56 33.01 o 10 10 0 51.08 57.90 4.07 o 11 10 0 164.01 143.79 6.05 o -1 11 0 961.45 972.12 16.71 o 0 11 0 203.59 230.45 5.03 o 1 11 0 191.78 179.02 5.76 o 2 11 0 13.74 18.43 3.63 o 3 11 0 696.43 716.47 10.83 o 4 11 0 2820.00 2651.27 29.11 o 5 11 0 1437.57 1377.85 17.30 o 6 11 0 7.00 15.20 2.37 o 7 11 0 120.04 143.55 4.66 o 8 11 0 20.81 28.13 6.26 o 9 11 0 1110.33 1081.97 18.15 o 10 11 0 2784.48 2622.20 36.08 o 1 12 0 1523.92 1525.85 43.77 o 2 12 0 122.93 121.05 5.58 o 3 12 0 44.67 50.74 3.22 o 4 12 0 294.31 296.36 8.49 o 5 12 0 495.33 473.31 8.71 o 6 12 0 1520.89 1392.38 18.01 o 7 12 0 593.48 646.52 10.72 o 8 12 0 150.39 146.19 6.01 o 9 12 0 393.73 394.69 15.84 o 4 13 0 10.84 17.38 2.54 o 5 13 0 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