#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/73/2217396.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_2217396_Fobs loop_ _publ_author_name 'Bagchi, Vivek' 'Bandyopadhyay, Debkumar' _publ_section_title ; Chlorido{5-chloro-2-[2-(methylsulfanyl)phenyldiazenyl]phenyl}platinum(II) ; _journal_coeditor_code AT2531 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m359 _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 105.428 _cell_angle_beta 91.798 _cell_angle_gamma 96.641 _cell_length_a 7.4239 _cell_length_b 8.7769 _cell_length_c 11.0688 _exptl_crystal_F_000 625.00 _reflns_d_resolution_high 0.8256 _[local]_cod_data_source_file at2531Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 247.69 _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 1329.30 1589.87 65.83 o 2 0 0 37254.32 31967.89 2077.26 o 3 0 0 6252.46 6361.61 149.46 o 4 0 0 1189.80 1112.01 24.12 o 5 0 0 4555.41 4642.43 79.73 o 6 0 0 653.73 658.87 25.78 o 7 0 0 2218.88 2173.82 59.46 o 8 0 0 0.96 6.53 14.45 o -8 1 0 2274.50 2228.92 81.05 o -7 1 0 547.24 549.28 16.29 o -6 1 0 2266.36 2205.03 45.83 o -5 1 0 4095.75 4132.57 71.22 o -4 1 0 915.78 935.77 18.29 o -3 1 0 12058.77 12383.05 204.00 o -2 1 0 6904.96 7448.96 156.57 o -1 1 0 19337.95 18004.87 342.70 o 0 1 0 5801.31 5867.01 142.85 o 1 1 0 22787.00 19767.74 666.19 o 2 1 0 61351.45 48422.51 1353.85 o 3 1 0 5744.81 5865.88 98.65 o 4 1 0 13310.43 13425.87 222.52 o 5 1 0 3.60 8.79 2.64 o 6 1 0 1846.46 1833.95 50.62 o 7 1 0 144.41 135.85 10.21 o 8 1 0 869.98 860.21 30.50 o -8 2 0 560.48 526.88 22.32 o -7 2 0 1280.44 1298.37 31.55 o -6 2 0 5298.86 5204.92 149.20 o -5 2 0 849.61 854.33 17.77 o -4 2 0 6451.32 6657.85 131.41 o -3 2 0 583.95 609.61 14.09 o -2 2 0 3602.90 3723.40 71.52 o -1 2 0 4089.24 4149.88 117.22 o 0 2 0 17128.82 16442.60 269.04 o 1 2 0 6036.53 6405.08 137.21 o 2 2 0 1275.64 1235.44 22.78 o 3 2 0 14751.55 14510.21 239.97 o 4 2 0 2994.63 3170.00 56.13 o 5 2 0 6830.21 6813.70 125.13 o 6 2 0 1357.48 1340.43 39.78 o 7 2 0 856.51 790.75 28.03 o 8 2 0 301.16 317.13 17.61 o -8 3 0 188.44 237.88 18.49 o -7 3 0 1186.23 1196.32 30.38 o -6 3 0 10.43 13.41 3.25 o -5 3 0 5717.87 5843.03 112.32 o -4 3 0 3950.32 4280.69 99.39 o -3 3 0 10314.13 10084.70 191.01 o -2 3 0 4194.38 4235.61 96.75 o -1 3 0 1564.07 1560.00 31.56 o 0 3 0 2795.79 2900.43 49.54 o 1 3 0 550.15 592.92 12.19 o 2 3 0 9387.17 9153.76 173.42 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204.19 o 2 -6 1 749.67 714.94 19.66 o 3 -6 1 6068.27 5876.77 119.59 o 4 -6 1 1727.23 1800.71 78.17 o 5 -6 1 1891.26 1880.73 45.09 o 6 -6 1 1052.20 1044.20 33.98 o 7 -6 1 401.56 419.01 19.82 o -7 -5 1 1092.49 1114.86 38.01 o -6 -5 1 291.52 308.73 16.85 o -5 -5 1 1569.74 1518.26 50.48 o -4 -5 1 2113.04 2131.46 57.31 o -3 -5 1 2175.32 2025.23 108.16 o -2 -5 1 3876.71 4019.01 69.51 o -1 -5 1 629.57 630.20 13.67 o 0 -5 1 11510.30 11534.59 191.11 o 1 -5 1 976.29 1040.50 20.28 o 2 -5 1 10920.52 10385.29 172.65 o 3 -5 1 4376.63 4356.52 89.57 o 4 -5 1 1021.20 1000.19 34.67 o 5 -5 1 4096.08 4369.70 187.37 o 6 -5 1 44.90 44.40 6.21 o 7 -5 1 1629.17 1623.00 48.26 o 8 -5 1 2.00 1.38 8.22 o -7 -4 1 393.19 399.35 25.87 o -6 -4 1 1224.73 1212.23 37.58 o -5 -4 1 2203.83 2227.50 59.75 o -4 -4 1 233.92 218.58 22.10 o -3 -4 1 5457.19 5555.33 94.47 o -2 -4 1 241.11 248.47 8.08 o -1 -4 1 7947.10 7940.52 132.24 o 0 -4 1 647.85 665.83 13.36 o 1 -4 1 5781.72 5656.72 110.58 o 2 -4 1 7312.37 7300.38 122.14 o 3 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