#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:31:11 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181060 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/40/2214091.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_2214091_Fobs loop_ _publ_author_name 'Bagchi, Vivek' 'Das, Purak' 'Bandyopadhyay, Debkumar' _publ_section_title ; Trichlorido{1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-\k^3^C,N,S}platinum(IV) ; _journal_coeditor_code BT2390 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1940 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 105.799 _cell_angle_gamma 90.000 _cell_length_a 7.7654 _cell_length_b 16.8576 _cell_length_c 12.0311 _exptl_crystal_F_000 992.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file bt2390Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 283.94 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, 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 0 0 6868.70 5967.49 228.45 o 3 0 0 50871.16 54642.00 1751.99 o 4 0 0 1657.88 1584.67 150.25 o 5 0 0 17217.55 16068.30 712.70 o 6 0 0 2253.87 2430.07 306.14 o 7 0 0 2842.60 2977.43 394.23 o 8 0 0 12947.67 11059.80 756.34 o 2 1 0 4317.95 4388.79 125.93 o 3 1 0 2824.55 3202.03 114.04 o 4 1 0 26055.94 26773.09 647.62 o 5 1 0 7424.36 7086.25 247.84 o 6 1 0 2592.88 2515.36 232.15 o 7 1 0 3979.24 4039.85 487.87 o 0 2 0 9.33 128.58 62.39 o 3 2 0 88.48 133.89 31.24 o 4 2 0 2256.50 2582.04 147.51 o 5 2 0 187.67 183.01 58.27 o 6 2 0 235.29 304.67 92.06 o 7 2 0 157.11 306.39 117.57 o 8 2 0 25.65 368.86 140.76 o 2 3 0 4193.49 4335.81 140.86 o 3 3 0 1094.50 1258.56 82.65 o 4 3 0 22041.10 21581.39 577.15 o 5 3 0 75.87 220.37 68.02 o 6 3 0 1363.86 1535.37 165.94 o 7 3 0 5564.34 5802.08 336.06 o 1 4 0 4709.31 5396.91 175.11 o 2 4 0 23586.13 24717.09 619.15 o 3 4 0 47907.00 50580.04 1237.34 o 4 4 0 949.97 1070.50 101.11 o 5 4 0 15531.59 14604.64 469.71 o 6 4 0 9474.80 8836.44 338.64 o 7 4 0 196.69 410.33 112.83 o 8 4 0 4720.97 5402.54 407.98 o 1 5 0 35475.52 38352.63 1458.88 o 2 5 0 36286.83 38497.74 935.96 o 3 5 0 5722.76 5403.72 235.14 o 4 5 0 18226.16 17718.42 534.53 o 5 5 0 6919.62 6359.64 265.91 o 6 5 0 4811.95 4483.76 248.44 o 7 5 0 5524.82 5589.20 343.56 o 8 5 0 13.91 319.38 146.07 o 0 6 0 25125.92 27745.18 922.18 o 1 6 0 22488.86 23351.20 698.01 o 2 6 0 72.67 114.90 33.16 o 3 6 0 1232.79 1387.21 85.93 o 4 6 0 478.05 503.90 84.13 o 5 6 0 150.57 226.12 75.28 o 6 6 0 154.72 283.77 99.51 o 7 6 0 1653.34 2053.37 211.15 o 8 6 0 456.54 715.64 155.78 o 1 7 0 8923.18 9604.09 311.79 o 3 7 0 1412.78 1468.56 83.33 o 4 7 0 4618.84 4735.99 229.60 o 5 7 0 472.93 654.39 97.55 o 6 7 0 1389.02 1703.09 162.33 o 7 7 0 2508.29 2785.49 249.71 o 0 8 0 34644.25 37338.42 1237.70 o 1 8 0 8453.19 8399.17 258.92 o 2 8 0 26179.18 25633.73 674.23 o 3 8 0 22366.28 22335.14 665.01 o 4 8 0 144.37 224.04 70.43 o 5 8 0 13102.24 12160.95 428.87 o 7 8 0 861.88 745.85 129.27 o 8 8 0 3514.62 3297.29 298.49 o 1 9 0 26789.64 26271.17 642.73 o 2 9 0 21123.38 20446.42 782.25 o 3 9 0 5528.32 5538.01 234.15 o 4 9 0 11970.63 11243.03 390.77 o 5 9 0 3618.05 3439.32 219.32 o 6 9 0 10408.68 9532.21 385.44 o 7 9 0 7465.01 7247.84 363.10 o 0 10 0 125.50 251.60 72.07 o 1 10 0 1785.01 2043.19 113.80 o 2 10 0 4350.36 4267.01 211.53 o 3 10 0 8000.23 7224.54 283.06 o 4 10 0 165.56 208.78 70.35 o 5 10 0 3031.24 3312.38 222.81 o 6 10 0 3099.15 3612.51 251.25 o 7 10 0 55.10 220.19 100.22 o 1 11 0 2074.75 2445.64 131.48 o 2 11 0 320.81 372.53 63.02 o 3 11 0 3005.70 3007.55 187.71 o 4 11 0 2793.62 3205.33 208.31 o 5 11 0 885.25 1132.30 235.98 o 6 11 0 594.75 763.44 129.22 o 7 11 0 506.34 785.05 144.44 o 0 12 0 7652.98 8015.41 363.01 o 1 12 0 1823.44 2153.46 126.29 o 2 12 0 11998.32 11612.56 365.42 o 3 12 0 11082.14 9671.63 403.81 o 4 12 0 744.83 865.32 128.16 o 5 12 0 7232.21 7602.49 497.34 o 6 12 0 6072.30 6344.54 630.62 o 1 13 0 18017.59 17169.86 603.17 o 2 13 0 5205.53 5117.18 275.34 o 3 13 0 283.91 506.91 137.80 o 4 13 0 14747.35 13677.18 551.00 o 5 13 0 2283.88 2857.88 269.98 o 6 13 0 3337.69 3418.31 300.50 o 0 14 0 10315.26 9964.80 540.76 o 1 14 0 51.44 267.48 78.37 o 2 14 0 1991.56 2227.80 200.45 o 3 14 0 3357.53 3098.56 290.40 o 4 14 0 70.96 135.38 109.77 o 5 14 0 5863.70 5669.89 639.10 o 6 14 0 1791.27 2361.07 295.59 o 1 15 0 6.29 158.02 85.01 o 2 15 0 901.40 1089.98 173.21 o 3 15 0 401.10 659.23 149.78 o 4 15 0 93.73 165.19 142.26 o 5 15 0 280.11 175.71 130.61 o 1 16 0 5619.31 5716.64 336.29 o 2 16 0 1304.61 1340.72 200.36 o 3 16 0 4365.93 4397.80 370.23 o 4 16 0 80.77 382.09 192.90 o 5 16 0 2320.68 2810.86 325.84 o 1 17 0 8279.84 7848.80 401.49 o 2 17 0 4108.48 3899.11 339.66 o 3 17 0 605.09 822.01 178.01 o 4 17 0 9840.62 9194.31 860.63 o 0 18 0 3900.02 4580.81 516.04 o 1 18 0 503.88 654.86 132.34 o 2 18 0 2282.65 2828.30 302.65 o 3 18 0 4120.39 3976.14 366.53 o 2 19 0 10.03 188.06 137.20 o 0 20 0 2656.08 2488.22 399.62 o -9 1 1 2035.59 2384.97 276.51 o -8 1 1 648.35 1039.40 250.74 o -7 1 1 5048.55 4332.74 325.27 o -6 1 1 4330.25 4211.60 228.10 o -5 1 1 357.70 504.77 71.75 o -4 1 1 20004.54 19437.68 484.00 o -3 1 1 1609.20 1839.52 99.17 o 0 1 1 3738.40 4521.89 203.37 o 2 1 1 5303.32 4891.39 141.74 o 3 1 1 4961.79 5540.92 224.71 o 4 1 1 11845.81 11941.09 413.94 o 5 1 1 1854.45 2031.81 140.44 o 6 1 1 819.62 794.66 126.30 o 7 1 1 4967.25 5800.27 388.34 o 8 1 1 2200.10 2685.43 284.12 o -8 2 1 8733.19 8076.18 459.42 o -7 2 1 3028.37 3233.74 249.91 o -6 2 1 4694.15 4581.77 267.21 o -5 2 1 26008.96 24667.59 664.09 o -4 2 1 2037.74 2407.35 126.67 o -3 2 1 43987.25 46362.13 1129.23 o -1 2 1 19.60 76.54 14.29 o 2 2 1 573.90 785.47 51.62 o 3 2 1 29613.41 31008.42 730.41 o 4 2 1 4794.97 4813.60 172.49 o 5 2 1 15743.42 14266.59 454.76 o 6 2 1 7831.85 7621.35 338.52 o 8 2 1 8707.61 8744.76 507.37 o -7 3 1 4427.05 4329.53 293.15 o -6 3 1 3143.90 3390.70 225.42 o -5 3 1 7845.41 7035.04 250.62 o -4 3 1 40722.82 39395.13 989.77 o -3 3 1 40676.25 41432.86 1016.73 o -2 3 1 535.06 553.99 51.27 o -1 3 1 47393.36 52043.86 1996.20 o 0 3 1 9711.43 11750.58 694.04 o 2 3 1 16856.37 18696.04 475.41 o 3 3 1 910.07 1110.77 68.06 o 4 3 1 34215.02 35196.21 896.97 o 5 3 1 10769.96 10168.74 355.73 o 6 3 1 697.44 687.15 116.89 o 7 3 1 5360.73 6097.07 455.68 o 8 3 1 526.31 814.59 179.86 o -8 4 1 97.70 337.91 172.55 o -7 4 1 763.38 1046.65 148.10 o -6 4 1 264.55 465.31 88.42 o -5 4 1 137.10 230.85 70.13 o -4 4 1 2756.88 3097.35 145.69 o -3 4 1 315.92 458.35 55.90 o -2 4 1 9367.06 9793.68 253.53 o 0 4 1 1377.35 1582.22 69.69 o 2 4 1 4200.97 4709.27 156.85 o 3 4 1 409.16 496.25 55.53 o 4 4 1 84.12 198.42 60.06 o 5 4 1 291.77 294.97 72.01 o 7 4 1 933.94 1198.46 160.65 o 8 4 1 460.75 620.11 167.18 o -7 5 1 4496.23 4351.53 296.79 o -6 5 1 3574.04 3816.24 227.68 o -5 5 1 680.59 751.83 100.62 o -4 5 1 7942.51 7964.65 261.24 o -3 5 1 2177.85 2300.34 160.80 o -2 5 1 1086.58 1409.47 81.78 o -1 5 1 6261.92 7182.26 194.55 o 0 5 1 1200.04 1344.77 72.32 o 1 5 1 44518.77 49751.71 1189.15 o 2 5 1 17507.73 18949.24 491.66 o 3 5 1 204.40 278.06 46.32 o 4 5 1 10709.46 10345.83 352.45 o 5 5 1 4093.18 4196.33 227.72 o 6 5 1 70.81 259.64 80.70 o 7 5 1 1221.27 1705.71 194.80 o 8 5 1 240.17 490.53 151.81 o -8 6 1 3514.17 3406.79 289.01 o -7 6 1 2484.86 2706.15 234.42 o -6 6 1 5794.04 5114.74 257.28 o -5 6 1 20415.38 18370.28 824.11 o -4 6 1 1680.87 1654.49 110.05 o -3 6 1 24129.44 24615.33 823.33 o -2 6 1 53358.01 54254.11 1629.90 o -1 6 1 14.24 92.11 27.74 o 0 6 1 28754.54 30354.51 1109.40 o 1 6 1 17477.29 19296.64 804.05 o 2 6 1 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o 3 15 1 22.73 143.79 111.61 o 4 15 1 9436.78 9373.83 528.21 o 5 15 1 3191.15 3143.09 340.96 o -5 16 1 2965.19 2449.74 310.50 o -4 16 1 1173.02 1420.26 230.44 o -3 16 1 2634.21 2469.60 281.76 o -2 16 1 1550.25 1683.59 221.87 o -1 16 1 44.98 252.27 94.83 o 0 16 1 7199.13 6975.67 371.43 o 1 16 1 1706.01 1689.83 187.59 o 2 16 1 763.62 950.63 167.71 o 3 16 1 5730.65 5525.14 415.78 o 4 16 1 918.51 1034.10 223.69 o 5 16 1 2165.61 2440.62 310.34 o -4 17 1 1.20 127.92 140.70 o -3 17 1 99.46 448.78 161.11 o -2 17 1 80.96 329.62 129.03 o -1 17 1 219.74 462.91 112.18 o 0 17 1 1001.34 1014.58 156.23 o 1 17 1 75.64 344.24 100.05 o 2 17 1 102.06 421.69 196.84 o 3 17 1 110.14 265.23 131.23 o 4 17 1 288.92 525.18 163.64 o -4 18 1 108.68 414.54 163.08 o -3 18 1 3665.50 3186.17 331.95 o -2 18 1 2498.02 2458.24 284.62 o -1 18 1 49.88 302.58 107.55 o 0 18 1 7014.46 6206.90 427.69 o 1 18 1 3142.59 3182.42 318.30 o 2 18 1 121.85 180.77 139.19 o 3 18 1 2462.70 2307.45 284.61 o -2 19 1 882.46 1059.47 219.15 o 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