#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2214191.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_2214191_Fobs loop_ _publ_author_name 'Brown, Gavin M.' 'Elsegood, Mark R. J.' 'Evans, James R.' 'Sanchez Ballester, Noelia M.' 'Smith, Martin B.' 'Blann, Kevin' _publ_section_title ; Dichloridobis[N-(diphenylphosphino)isopropylamine-\kP]platinum(II) chloroform solvate ; _journal_coeditor_code FJ2039 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1898 _journal_page_last m1899 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 104.795 _cell_angle_gamma 90.000 _cell_length_a 11.5142 _cell_length_b 14.5440 _cell_length_c 21.5825 _exptl_crystal_F_000 1720.00 _reflns_d_resolution_high 0.7328 _[local]_cod_data_source_file fj2039Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mbs249 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 474.08 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 1114.61 1155.01 52.68 o 4 0 0 181935.77 180921.63 2358.01 o 6 0 0 19380.02 18719.69 263.17 o 8 0 0 23421.29 24032.26 450.97 o 10 0 0 26530.39 27843.04 545.11 o 12 0 0 6073.52 5704.61 304.59 o 14 0 0 7928.47 7909.08 323.70 o 1 1 0 321.95 338.14 13.80 o 2 1 0 13060.19 13270.62 124.14 o 3 1 0 16362.58 16823.59 161.11 o 4 1 0 19059.66 18928.85 188.22 o 5 1 0 4199.38 4484.22 83.27 o 6 1 0 58792.55 57960.45 488.52 o 7 1 0 989.17 1267.85 98.72 o 8 1 0 6070.94 5907.22 145.06 o 9 1 0 911.29 789.25 79.06 o 10 1 0 17423.86 18055.47 337.78 o 11 1 0 925.71 839.69 126.36 o 12 1 0 4225.89 4192.92 156.01 o 13 1 0 5.21 -14.53 73.37 o 14 1 0 380.07 334.21 96.25 o 1 2 0 6938.37 7393.40 65.87 o 2 2 0 1163.48 1087.10 31.42 o 3 2 0 5060.58 5189.07 74.44 o 4 2 0 97598.53 98963.39 734.85 o 5 2 0 423.47 474.93 67.08 o 6 2 0 35969.02 35725.22 333.12 o 7 2 0 6847.23 7019.60 148.72 o 8 2 0 13237.88 13373.87 224.68 o 9 2 0 149.30 112.07 56.18 o 10 2 0 30541.97 30987.97 410.91 o 11 2 0 595.99 577.33 100.83 o 12 2 0 2394.95 2610.83 146.77 o 13 2 0 16.78 13.17 76.29 o 14 2 0 8509.91 9014.63 294.79 o 1 3 0 1437.17 1436.63 28.52 o 2 3 0 45315.97 46401.85 397.90 o 3 3 0 11521.74 12108.54 144.37 o 4 3 0 6711.65 6379.50 93.65 o 5 3 0 702.94 698.15 47.93 o 6 3 0 37801.88 36618.84 337.95 o 7 3 0 2.68 -1.69 36.75 o 8 3 0 10899.11 11101.16 201.76 o 9 3 0 11291.45 11007.73 213.84 o 10 3 0 5701.40 5683.99 219.16 o 11 3 0 63.90 31.89 64.58 o 12 3 0 7714.11 8338.43 214.83 o 13 3 0 2316.68 2446.29 236.46 o 14 3 0 494.95 490.86 116.26 o 0 4 0 133986.14 131848.30 1242.54 o 1 4 0 21378.22 21911.21 212.68 o 2 4 0 20451.26 21202.14 187.26 o 3 4 0 56459.68 58054.47 502.97 o 4 4 0 82361.65 83167.13 630.42 o 5 4 0 639.89 617.27 42.86 o 6 4 0 16138.17 16208.63 190.24 o 7 4 0 11065.95 10986.95 187.31 o 8 4 0 5923.15 6152.25 149.01 o 9 4 0 230.19 142.18 60.12 o 10 4 0 11777.52 11642.84 232.16 o 11 4 0 2875.93 2785.08 126.47 o 12 4 0 1122.50 1110.34 107.49 o 13 4 0 423.72 288.69 93.82 o 14 4 0 5513.62 6542.58 241.85 o 1 5 0 647.74 668.33 56.69 o 2 5 0 68101.18 69481.65 521.91 o 3 5 0 2158.35 2111.90 51.16 o 4 5 0 6668.48 6620.90 100.62 o 5 5 0 7382.10 7089.52 111.97 o 6 5 0 32585.48 32024.02 308.76 o 7 5 0 313.85 170.53 52.53 o 8 5 0 8708.20 8397.50 188.00 o 9 5 0 7224.17 7293.77 172.05 o 10 5 0 10289.84 10199.93 217.11 o 11 5 0 885.60 877.42 93.40 o 12 5 0 7792.83 8078.11 213.09 o 13 5 0 1979.09 2127.93 207.92 o 14 5 0 1384.19 1009.58 173.42 o 0 6 0 12124.32 11440.62 222.72 o 1 6 0 17827.42 18246.69 200.74 o 2 6 0 10952.87 11412.19 151.10 o 3 6 0 48498.37 48839.42 395.46 o 4 6 0 62117.55 62532.83 500.23 o 5 6 0 6920.63 6933.18 112.66 o 6 6 0 14644.00 13973.37 257.01 o 7 6 0 11188.34 11166.23 254.77 o 8 6 0 8512.64 8335.02 173.46 o 9 6 0 2549.47 2339.72 104.85 o 10 6 0 9194.30 8992.35 356.78 o 11 6 0 6524.40 6207.45 213.93 o 12 6 0 465.89 630.18 113.58 o 13 6 0 1221.97 1311.14 169.96 o 1 7 0 3927.09 3754.00 79.39 o 2 7 0 51253.55 52320.06 482.57 o 3 7 0 1210.72 1043.99 41.98 o 4 7 0 2442.36 2566.72 65.37 o 5 7 0 16548.75 16341.44 191.87 o 6 7 0 9622.45 9482.00 164.70 o 7 7 0 6568.30 6286.18 169.95 o 8 7 0 8927.34 8568.79 211.98 o 9 7 0 8792.77 8357.97 288.37 o 10 7 0 4408.64 4200.49 278.08 o 11 7 0 112.71 83.63 83.19 o 12 7 0 2986.68 3259.26 173.91 o 13 7 0 2206.82 2199.54 176.48 o 0 8 0 34069.24 34488.45 681.16 o 1 8 0 35197.28 35169.21 349.58 o 2 8 0 2353.61 2493.45 73.56 o 3 8 0 33999.72 33945.59 375.16 o 4 8 0 22609.29 22943.88 278.90 o 5 8 0 5411.28 5072.81 119.78 o 6 8 0 12753.87 12499.18 241.18 o 7 8 0 17048.67 16384.48 290.21 o 8 8 0 9121.93 8888.66 218.37 o 9 8 0 1930.50 2125.88 149.45 o 10 8 0 5007.49 4923.31 182.87 o 11 8 0 6363.63 6498.10 271.72 o 12 8 0 498.83 471.68 113.07 o 13 8 0 781.30 724.13 150.95 o 1 9 0 14430.53 14449.35 230.04 o 2 9 0 16523.76 16148.72 240.44 o 3 9 0 680.61 654.59 104.05 o 4 9 0 165.72 119.73 40.90 o 5 9 0 25622.30 25190.72 312.77 o 6 9 0 5905.06 5724.62 158.90 o 7 9 0 2901.81 2911.34 124.10 o 8 9 0 7220.36 6921.01 195.53 o 9 9 0 10793.65 10757.18 258.63 o 10 9 0 1157.39 994.18 111.36 o 11 9 0 75.66 -86.32 86.32 o 12 9 0 1774.15 1485.56 233.95 o 0 10 0 23769.48 23057.13 541.50 o 1 10 0 40615.20 39961.21 571.08 o 2 10 0 461.48 444.69 113.72 o 3 10 0 21874.81 21914.06 277.79 o 4 10 0 10712.43 10899.69 187.02 o 5 10 0 2068.10 1776.94 83.46 o 6 10 0 3320.75 3259.38 126.42 o 7 10 0 18282.27 17752.10 397.76 o 8 10 0 6171.48 6254.64 324.33 o 9 10 0 223.49 121.02 75.39 o 10 10 0 3195.51 3032.71 154.32 o 11 10 0 12357.81 12655.71 311.00 o 12 10 0 179.71 6.52 93.32 o 1 11 0 22914.49 22612.81 393.14 o 2 11 0 12182.12 12221.46 269.54 o 3 11 0 6153.51 6195.00 188.29 o 4 11 0 323.59 285.58 166.62 o 5 11 0 33036.17 32779.70 633.33 o 6 11 0 2522.87 2346.65 115.15 o 7 11 0 3095.56 3085.76 136.28 o 8 11 0 1386.04 1282.75 206.41 o 9 11 0 12496.82 12225.72 284.91 o 10 11 0 71.93 -44.98 79.91 o 11 11 0 376.04 171.73 99.09 o 12 11 0 679.96 323.10 210.06 o 0 12 0 4593.47 4372.17 226.75 o 1 12 0 42781.27 41345.07 670.67 o 2 12 0 652.03 667.78 86.54 o 3 12 0 24704.88 24601.36 439.69 o 4 12 0 677.82 723.58 95.33 o 5 12 0 3470.34 3174.68 156.67 o 6 12 0 890.52 991.01 156.70 o 7 12 0 18570.56 19071.89 1137.94 o 8 12 0 442.51 302.37 137.63 o 9 12 0 201.12 126.06 98.72 o 10 12 0 941.74 1053.97 152.49 o 11 12 0 10252.53 10540.82 403.87 o 12 12 0 123.99 -100.63 187.04 o 1 13 0 6865.31 6661.08 208.71 o 2 13 0 581.76 597.79 91.67 o 3 13 0 2866.14 2895.48 141.51 o 4 13 0 365.22 370.72 104.01 o 5 13 0 16370.03 15863.36 364.97 o 6 13 0 94.95 170.25 99.39 o 7 13 0 64.33 10.97 81.69 o 8 13 0 165.26 130.22 150.27 o 9 13 0 10181.59 10662.74 475.73 o 10 13 0 825.63 917.02 247.62 o 0 14 0 28.97 -13.99 87.77 o 1 14 0 6134.23 5922.65 203.08 o 2 14 0 304.91 397.90 81.90 o 3 14 0 24138.20 23832.70 456.60 o 4 14 0 309.48 241.53 85.20 o 5 14 0 255.38 216.35 92.73 o 6 14 0 614.83 425.75 146.77 o 7 14 0 14871.62 15623.35 396.17 o 8 14 0 4.28 -6.57 89.26 o 9 14 0 657.09 488.83 154.33 o 1 15 0 11165.61 10665.27 287.81 o 2 15 0 12.03 -4.32 70.70 o 3 15 0 6850.10 7180.92 241.74 o 4 15 0 23.27 26.30 138.65 o 5 15 0 8799.95 8489.56 275.84 o 6 15 0 120.96 207.06 89.93 o 7 15 0 166.85 162.59 98.60 o 8 15 0 13.53 27.34 109.99 o 0 16 0 339.12 500.66 138.76 o 1 16 0 5224.37 5085.44 234.42 o 2 16 0 40.75 96.87 78.00 o 3 16 0 18663.71 18877.87 421.27 o 4 16 0 48.93 10.10 79.02 o 5 16 0 1395.01 1306.08 144.92 o 6 16 0 330.64 314.45 102.46 o 7 16 0 12775.85 13741.01 389.19 o 1 17 0 6640.38 6670.78 244.48 o 2 17 0 18.48 8.60 79.00 o 3 17 0 2468.70 2666.97 169.36 o 4 17 0 54.95 130.71 96.78 o 5 17 0 7289.47 7064.97 270.10 o 6 17 0 817.55 537.89 177.57 o 0 18 0 2332.35 2373.36 222.69 o 1 18 0 3070.59 3251.60 183.15 o 2 18 0 21.77 -64.89 84.47 o 3 18 0 12470.24 12650.16 361.22 o -13 0 1 3244.72 3249.35 368.56 o -11 0 1 20497.97 20824.40 731.37 o -9 0 1 25818.60 27121.90 512.53 o -7 0 1 4537.60 4477.38 465.47 o -5 0 1 180617.41 181526.50 2042.02 o -3 0 1 239.75 235.31 49.52 o -1 0 1 130546.70 120138.95 6888.35 o 1 0 1 21584.50 22012.01 455.99 o 3 0 1 224754.95 216652.94 7019.32 o 5 0 1 28243.94 28714.63 349.54 o 7 0 1 23038.02 22957.27 419.98 o 9 0 1 11600.20 11395.01 309.14 o 11 0 1 6563.18 5991.70 248.24 o 13 0 1 5606.51 6131.62 528.41 o -14 1 1 10.06 50.23 84.03 o -13 1 1 6599.19 6949.25 206.19 o -12 1 1 29.20 -58.39 65.48 o -11 1 1 6633.38 6491.78 181.29 o -10 1 1 111.71 106.88 59.17 o -9 1 1 13596.49 13510.97 238.75 o -8 1 1 970.47 937.94 77.99 o -7 1 1 29363.33 28689.16 388.87 o -6 1 1 39.83 51.48 59.83 o -5 1 1 9011.09 7942.37 137.02 o -4 1 1 6077.09 6237.53 108.55 o -3 1 1 105716.73 104847.84 989.29 o -2 1 1 1821.87 1869.09 41.72 o -1 1 1 17119.99 17168.98 146.43 o 0 1 1 1196.05 1099.03 41.32 o 1 1 1 137757.00 131422.42 2239.66 o 2 1 1 2013.93 1904.73 38.00 o 3 1 1 15102.47 14961.99 148.35 o 4 1 1 42921.00 44748.41 368.80 o 5 1 1 98241.59 100124.43 760.51 o 6 1 1 2647.87 2555.63 72.06 o 7 1 1 25657.13 26842.31 286.62 o 8 1 1 2668.46 2680.98 200.61 o 9 1 1 7974.25 7893.57 179.86 o 10 1 1 376.66 378.42 72.14 o 11 1 1 13257.67 13615.24 265.93 o 12 1 1 237.62 132.33 75.19 o 13 1 1 400.50 366.80 90.95 o 14 1 1 20.09 -22.33 83.68 o -14 2 1 99.65 6.76 88.05 o -13 2 1 2612.47 2729.67 157.08 o -12 2 1 2475.22 2644.93 130.77 o -11 2 1 23085.85 22823.34 352.94 o -10 2 1 19.84 -53.69 53.69 o -9 2 1 31584.85 32252.28 405.40 o -8 2 1 991.12 1021.64 95.81 o -7 2 1 25960.15 26669.45 426.81 o -6 2 1 15544.81 16073.84 222.72 o -5 2 1 145373.94 146494.81 1185.16 o -4 2 1 1338.19 1568.60 117.82 o -3 2 1 3502.95 3517.79 58.08 o -2 2 1 6345.98 6675.91 70.54 o -1 2 1 117987.72 118339.97 1017.86 o 0 2 1 3199.52 3314.56 37.16 o 1 2 1 12363.40 12781.27 111.49 o 2 2 1 8168.35 8485.50 102.72 o 3 2 1 18981.77 18405.54 173.73 o 4 2 1 4914.63 5150.01 71.33 o 5 2 1 10724.75 10862.74 142.44 o 6 2 1 632.67 842.60 80.99 o 7 2 1 5635.10 5495.15 143.32 o 8 2 1 1490.98 1511.01 106.23 o 9 2 1 9881.98 10179.70 256.07 o 10 2 1 3546.73 3421.05 131.58 o 11 2 1 2688.48 2539.63 122.65 o 12 2 1 19.93 -17.09 66.95 o 13 2 1 4619.16 4660.66 173.16 o 14 2 1 422.56 275.38 96.61 o -14 3 1 268.63 265.68 94.05 o -13 3 1 7748.87 7752.53 216.83 o -12 3 1 101.02 88.91 73.86 o -11 3 1 6333.53 6324.17 179.50 o -10 3 1 2650.47 2629.83 114.31 o -9 3 1 22407.58 21820.64 315.99 o -8 3 1 101.91 100.49 48.98 o -7 3 1 22584.26 22643.52 292.34 o -6 3 1 22219.60 22343.21 289.08 o -5 3 1 21373.88 21245.02 217.85 o -4 3 1 2449.11 2427.98 54.45 o -3 3 1 43571.73 43527.40 409.05 o -2 3 1 21774.13 22727.87 179.56 o -1 3 1 28441.14 30488.42 241.77 o 0 3 1 15591.54 15918.75 148.75 o 1 3 1 137069.98 135875.75 1081.20 o 2 3 1 837.46 867.46 29.28 o 3 3 1 225.71 270.87 40.20 o 4 3 1 14999.04 14609.55 159.85 o 5 3 1 57354.54 56930.48 468.39 o 6 3 1 10894.57 11182.97 153.56 o 7 3 1 7755.33 7629.74 154.20 o 8 3 1 262.82 242.68 64.13 o 9 3 1 10452.62 10450.23 208.76 o 10 3 1 742.90 565.59 79.57 o 11 3 1 6728.52 6946.92 188.99 o 12 3 1 2068.57 2013.44 133.05 o 13 3 1 286.06 100.04 79.54 o 14 3 1 518.57 470.64 122.98 o -14 4 1 318.55 208.81 93.83 o -13 4 1 2144.86 2587.06 153.19 o -12 4 1 3750.86 3399.65 143.43 o -11 4 1 16347.44 16540.86 326.02 o -10 4 1 2.17 -54.26 54.26 o -9 4 1 20808.56 20403.54 304.12 o -8 4 1 6585.71 6540.81 153.47 o -7 4 1 7747.10 7525.83 153.13 o -6 4 1 7488.13 7162.63 112.76 o -5 4 1 58803.43 58798.97 477.48 o -4 4 1 16158.86 17054.38 176.84 o -3 4 1 15.93 -15.53 18.03 o -2 4 1 11455.03 11899.10 113.09 o -1 4 1 183044.58 177201.06 2034.38 o 0 4 1 5729.93 6229.10 66.89 o 1 4 1 4583.26 4561.52 57.21 o 2 4 1 2429.91 2409.89 80.96 o 3 4 1 38636.77 38926.48 320.16 o 4 4 1 607.42 801.32 42.84 o 5 4 1 43025.74 43876.59 379.99 o 6 4 1 4601.75 4444.13 93.71 o 7 4 1 8759.85 8572.52 164.02 o 8 4 1 160.28 173.92 50.73 o 9 4 1 12391.16 12501.88 229.68 o 10 4 1 6071.64 6067.94 168.35 o 11 4 1 1216.44 1462.07 113.17 o 12 4 1 39.18 9.70 69.69 o 13 4 1 2242.56 2214.14 184.12 o 14 4 1 369.14 470.53 159.41 o -14 5 1 1531.35 926.61 177.87 o -13 5 1 4666.30 4573.40 204.30 o -12 5 1 155.13 109.24 75.54 o -11 5 1 9201.82 9259.00 218.13 o -10 5 1 5146.34 5013.87 152.91 o -9 5 1 25521.48 24951.31 343.16 o -8 5 1 88.40 110.57 49.52 o -7 5 1 28018.62 27697.81 340.29 o -6 5 1 12362.52 12563.62 190.63 o -5 5 1 17389.08 17615.43 194.00 o -4 5 1 587.18 671.65 47.27 o -3 5 1 35698.53 35375.14 272.68 o -2 5 1 19401.18 19978.73 220.94 o -1 5 1 2789.28 3061.43 63.08 o 0 5 1 21681.04 22328.63 264.11 o 1 5 1 67682.15 67999.48 574.00 o 2 5 1 10058.67 10013.12 133.26 o 3 5 1 415.91 614.73 34.33 o 4 5 1 32738.86 32635.00 292.91 o 5 5 1 32023.00 31230.73 294.10 o 6 5 1 5134.03 5223.30 101.61 o 7 5 1 1932.88 1789.46 79.90 o 8 5 1 5884.08 5694.91 143.49 o 9 5 1 8789.02 8835.73 191.49 o 10 5 1 1017.21 863.78 164.26 o 11 5 1 4362.50 4313.75 152.15 o 12 5 1 1258.76 1310.82 115.74 o 13 5 1 695.20 521.22 113.46 o 14 5 1 664.48 581.46 165.33 o -14 6 1 2254.66 2405.84 319.26 o -13 6 1 1487.49 1367.23 145.54 o -12 6 1 5697.09 5327.81 209.95 o -11 6 1 5456.77 5734.56 205.19 o -10 6 1 50.66 62.54 72.20 o -9 6 1 8874.03 8624.80 251.18 o -8 6 1 17371.93 16757.66 256.01 o -7 6 1 10628.52 10772.89 187.83 o -6 6 1 3638.16 3527.57 117.60 o -5 6 1 62878.21 63770.55 604.09 o -4 6 1 24336.62 24894.85 220.14 o -3 6 1 33.11 72.95 24.52 o -2 6 1 22654.35 23137.02 227.72 o -1 6 1 126271.03 126841.80 1090.71 o 0 6 1 19453.53 20155.15 280.00 o 1 6 1 10334.96 11336.59 145.48 o 2 6 1 2495.43 2178.49 46.49 o 3 6 1 7661.35 7015.01 99.04 o 4 6 1 1942.28 2070.33 67.62 o 5 6 1 27291.42 27223.13 269.99 o 6 6 1 8680.39 7908.34 146.89 o 7 6 1 6886.18 6636.09 143.94 o 8 6 1 1.85 -28.07 44.43 o 9 6 1 21149.72 21094.05 438.86 o 10 6 1 8344.44 8653.84 238.09 o 11 6 1 2273.36 2284.97 157.08 o 12 6 1 72.33 -4.04 86.60 o 13 6 1 1979.50 1915.19 166.37 o -13 7 1 4502.88 4194.92 200.16 o -12 7 1 14.50 -15.63 92.40 o -11 7 1 2931.30 3048.13 159.51 o -10 7 1 18243.61 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