#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2219625.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_2219625_Fobs loop_ _publ_author_name 'Li, Yong-Hua' 'Zhang, Yuan' 'Zhao, Min-Min' 'Li, Xian' _publ_section_title ; {Bis[2-(dicyclohexylphosphino)phenyl]methylsilyl-\k^3^P,Si,P'}chloridoplatinum(II) ; _journal_coeditor_code HY2153 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1272 _journal_volume 64 _journal_year 2008 _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 108.969 _cell_angle_gamma 90.000 _cell_length_a 13.1040 _cell_length_b 16.5790 _cell_length_c 17.7700 _exptl_crystal_F_000 1664.00 _reflns_d_resolution_high 0.7691 _[local]_cod_data_source_file hy2153Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mono in P2(1)/c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 438.74 _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 1 0 0 138.70 260.84 27.89 o 2 0 0 45359.39 43590.59 1781.02 o 3 0 0 24492.62 25535.57 415.75 o 4 0 0 35940.43 37581.33 866.32 o 5 0 0 23577.04 22687.15 445.82 o 6 0 0 48311.70 46862.31 425.23 o 7 0 0 71044.59 77221.64 1410.90 o 8 0 0 4753.13 5059.48 143.77 o 9 0 0 23839.33 23161.22 320.44 o 10 0 0 387.17 369.47 79.71 o 11 0 0 17211.47 16463.29 652.86 o 12 0 0 24.29 6.15 131.15 o 13 0 0 17773.65 19147.21 532.56 o 14 0 0 4716.57 4780.84 310.15 o 15 0 0 1761.98 1992.55 253.59 o 16 0 0 2451.29 2493.02 317.60 o 1 1 0 161967.17 172105.03 2405.01 o 2 1 0 649.59 804.18 19.85 o 3 1 0 6712.06 7361.91 100.92 o 4 1 0 31701.24 32183.59 462.68 o 5 1 0 32574.51 33877.89 580.23 o 6 1 0 37108.03 37501.35 492.00 o 7 1 0 27376.84 28454.26 524.43 o 8 1 0 40752.10 38879.00 1005.88 o 9 1 0 1154.23 1074.06 67.00 o 10 1 0 26211.51 27052.59 256.32 o 11 1 0 499.14 541.65 98.22 o 12 1 0 14167.29 14470.76 314.83 o 13 1 0 1177.18 1237.32 136.25 o 14 1 0 7761.22 7912.17 266.74 o 15 1 0 5258.32 5429.99 242.51 o 16 1 0 829.30 1090.26 182.08 o 0 2 0 192490.05 188785.22 4628.10 o 1 2 0 204.36 351.33 13.44 o 2 2 0 36590.15 39149.25 396.91 o 3 2 0 15849.72 17240.03 196.62 o 4 2 0 11206.66 11446.88 135.08 o 5 2 0 34777.66 35971.09 409.58 o 6 2 0 15533.32 15404.23 207.57 o 7 2 0 23801.97 23751.83 214.30 o 8 2 0 3396.95 3262.53 92.38 o 9 2 0 8879.08 8629.32 147.41 o 10 2 0 1199.81 1138.26 78.34 o 11 2 0 17417.04 17281.38 325.59 o 12 2 0 926.63 1087.24 123.67 o 13 2 0 8456.61 8312.49 258.29 o 14 2 0 1977.95 2009.91 169.08 o 15 2 0 2057.48 2218.58 186.58 o 16 2 0 1974.31 1840.89 321.26 o 1 3 0 36910.04 37940.84 288.44 o 2 3 0 6048.08 5877.44 98.03 o 3 3 0 9277.55 8937.15 97.82 o 4 3 0 35353.96 37371.70 417.72 o 5 3 0 10115.91 9491.34 119.90 o 6 3 0 9946.46 10257.16 134.67 o 7 3 0 927.72 819.10 54.78 o 8 3 0 6665.25 6775.75 127.10 o 9 3 0 82.37 76.65 50.96 o 10 3 0 16087.63 16155.78 257.06 o 11 3 0 1677.44 1590.87 124.66 o 12 3 0 14534.74 14285.38 313.47 o 13 3 0 2403.07 2343.39 165.84 o 14 3 0 1663.84 1866.26 162.07 o 15 3 0 772.17 692.20 151.37 o 0 4 0 10719.16 11834.09 369.76 o 1 4 0 282.82 453.11 22.79 o 2 4 0 8976.58 9735.98 175.54 o 3 4 0 10030.38 10159.41 115.98 o 4 4 0 2215.75 2681.18 65.35 o 5 4 0 20338.45 21485.46 222.63 o 6 4 0 4045.41 4489.62 95.37 o 7 4 0 1518.32 1241.81 64.07 o 8 4 0 183.60 159.26 49.04 o 9 4 0 1173.21 1267.20 75.79 o 10 4 0 1426.85 1306.70 95.02 o 11 4 0 2749.68 2738.02 148.87 o 12 4 0 3794.94 3670.12 178.45 o 13 4 0 1046.71 1087.64 136.44 o 14 4 0 115.61 129.81 128.36 o 15 4 0 159.29 105.14 142.64 o 1 5 0 54.85 134.40 22.30 o 2 5 0 125.27 127.67 20.98 o 3 5 0 1594.65 1665.85 52.08 o 4 5 0 1739.30 2015.92 61.17 o 5 5 0 3222.99 3149.00 79.19 o 6 5 0 44.69 43.50 37.02 o 7 5 0 345.66 321.68 50.33 o 8 5 0 1490.40 1465.23 75.67 o 9 5 0 743.05 709.28 69.14 o 10 5 0 146.46 147.37 71.55 o 11 5 0 1260.71 1288.08 106.66 o 12 5 0 551.84 511.26 112.72 o 13 5 0 173.73 87.91 113.23 o 14 5 0 55.72 12.97 123.93 o 15 5 0 1457.80 1490.93 200.68 o 0 6 0 374.27 393.25 46.01 o 1 6 0 3279.43 3061.36 56.91 o 2 6 0 120.85 284.02 27.31 o 3 6 0 1008.13 1069.67 47.00 o 4 6 0 13138.38 13776.46 156.79 o 5 6 0 165.83 229.89 39.79 o 6 6 0 596.64 603.90 52.58 o 7 6 0 6827.28 6982.17 132.08 o 8 6 0 1593.27 1448.46 77.41 o 9 6 0 3503.82 3371.81 109.94 o 10 6 0 734.68 774.97 88.89 o 11 6 0 1866.71 2049.66 124.00 o 12 6 0 71.48 13.14 100.06 o 13 6 0 159.17 104.28 114.24 o 14 6 0 2011.44 2087.19 201.66 o 15 6 0 1345.69 1367.80 207.38 o 1 7 0 13206.22 13611.25 137.08 o 2 7 0 5604.01 5258.62 83.21 o 3 7 0 13706.95 12794.11 165.56 o 4 7 0 8823.11 9317.10 202.89 o 5 7 0 10350.99 10492.29 188.99 o 6 7 0 7554.49 7927.09 136.04 o 7 7 0 619.79 565.75 58.77 o 8 7 0 15609.63 15687.54 207.89 o 9 7 0 956.69 906.84 76.31 o 10 7 0 9117.31 9021.19 204.98 o 11 7 0 16.33 85.61 86.28 o 12 7 0 4340.34 4607.34 228.41 o 13 7 0 830.92 894.12 155.05 o 14 7 0 1910.48 2107.94 209.18 o 15 7 0 3531.16 3554.64 350.48 o 0 8 0 974.41 889.96 66.36 o 1 8 0 4623.64 5018.10 90.68 o 2 8 0 23564.14 24033.08 211.66 o 3 8 0 11452.58 10508.07 163.97 o 4 8 0 28744.90 28847.38 316.40 o 5 8 0 17753.97 17896.43 228.93 o 6 8 0 4463.35 4777.41 112.57 o 7 8 0 10098.75 9895.37 201.37 o 8 8 0 88.83 87.92 56.65 o 9 8 0 20711.83 21265.90 258.74 o 10 8 0 216.13 252.26 82.92 o 11 8 0 11990.44 12456.79 284.71 o 12 8 0 2294.77 2443.14 186.45 o 13 8 0 2515.46 2455.42 200.72 o 14 8 0 2856.16 3071.02 303.92 o 1 9 0 36173.30 36705.87 259.39 o 2 9 0 5394.27 5094.33 95.51 o 3 9 0 54221.76 53204.46 941.02 o 4 9 0 16931.63 16619.82 182.82 o 5 9 0 21434.43 21913.35 301.34 o 6 9 0 21224.25 20963.77 231.75 o 7 9 0 1052.29 1210.20 77.98 o 8 9 0 19723.26 19059.68 372.58 o 9 9 0 445.11 508.45 81.88 o 10 9 0 16282.96 16392.27 310.12 o 11 9 0 77.33 31.40 95.89 o 12 9 0 9100.24 9247.65 310.54 o 13 9 0 2542.66 2745.10 217.45 o 14 9 0 2991.77 2943.78 313.59 o 0 10 0 45653.21 44854.35 1046.23 o 1 10 0 700.54 586.00 50.68 o 2 10 0 76521.80 76128.19 1259.83 o 3 10 0 10024.09 9039.91 284.82 o 4 10 0 44120.04 43052.43 797.27 o 5 10 0 16995.86 16749.30 252.67 o 6 10 0 11573.27 11647.01 176.79 o 7 10 0 20096.78 20282.29 272.49 o 8 10 0 4165.63 4135.47 139.91 o 9 10 0 23589.36 24235.85 320.19 o 10 10 0 426.11 482.38 102.98 o 11 10 0 13919.58 14386.24 417.46 o 12 10 0 977.64 1139.31 172.99 o 13 10 0 5420.41 5717.08 368.11 o 14 10 0 2265.38 2420.44 321.93 o 1 11 0 41731.74 41948.83 348.86 o 2 11 0 7744.57 7385.22 125.51 o 3 11 0 43414.14 44004.66 385.25 o 4 11 0 9670.87 8770.40 385.64 o 5 11 0 20271.81 20485.62 266.87 o 6 11 0 16834.44 16949.09 250.47 o 7 11 0 3964.12 3986.55 135.57 o 8 11 0 23143.06 24001.52 317.50 o 9 11 0 422.05 488.93 99.42 o 10 11 0 14123.92 14291.14 305.61 o 11 11 0 19.25 82.66 109.08 o 12 11 0 4502.58 4592.54 335.10 o 13 11 0 866.96 859.54 225.30 o 0 12 0 24565.21 24636.12 448.87 o 1 12 0 3755.72 3484.90 98.22 o 2 12 0 22016.78 21649.19 218.61 o 3 12 0 3318.87 3083.06 116.01 o 4 12 0 17010.93 17054.08 257.31 o 5 12 0 3875.93 4050.25 133.34 o 6 12 0 6480.56 6241.34 177.32 o 7 12 0 16066.68 16428.84 263.50 o 8 12 0 2044.00 2012.03 118.19 o 9 12 0 9574.77 9521.05 250.28 o 10 12 0 38.21 82.03 97.17 o 11 12 0 3844.69 3598.73 228.45 o 12 12 0 5.42 55.40 184.21 o 13 12 0 4968.38 5329.91 393.83 o 1 13 0 7011.30 6829.39 161.06 o 2 13 0 7755.37 7430.94 172.10 o 3 13 0 7475.44 7269.33 172.47 o 4 13 0 863.15 929.84 85.05 o 5 13 0 4752.17 4700.89 153.25 o 6 13 0 7502.24 7529.95 184.89 o 7 13 0 155.22 203.23 75.34 o 8 13 0 11653.24 11239.83 234.26 o 9 13 0 171.30 220.98 105.75 o 10 13 0 2770.89 2796.73 203.15 o 11 13 0 11.61 19.97 139.10 o 12 13 0 2534.69 2550.65 297.09 o 0 14 0 1107.29 1245.50 143.27 o 1 14 0 814.18 844.52 83.97 o 2 14 0 878.62 799.99 84.48 o 3 14 0 1473.28 1339.56 97.17 o 4 14 0 3188.36 3033.72 129.82 o 5 14 0 1240.49 1268.87 100.73 o 6 14 0 168.97 178.42 78.73 o 7 14 0 3043.35 2975.01 137.20 o 8 14 0 484.12 550.81 102.09 o 9 14 0 1930.17 1804.82 180.56 o 10 14 0 305.95 400.81 145.27 o 11 14 0 227.44 301.75 155.44 o 12 14 0 221.61 243.82 252.45 o 1 15 0 422.47 360.86 83.34 o 2 15 0 1398.70 1415.93 114.64 o 3 15 0 241.94 287.86 76.84 o 4 15 0 0.43 -13.38 74.19 o 5 15 0 171.78 141.47 78.72 o 6 15 0 4.03 3.01 81.37 o 7 15 0 141.31 151.43 92.04 o 8 15 0 268.65 215.49 116.31 o 9 15 0 245.17 263.24 142.82 o 10 15 0 19.01 -24.03 144.11 o 11 15 0 56.39 50.37 170.44 o 0 16 0 2378.23 2582.88 205.18 o 1 16 0 55.03 42.30 78.68 o 2 16 0 86.14 44.49 78.42 o 3 16 0 649.87 544.32 98.33 o 4 16 0 283.56 243.92 91.62 o 5 16 0 502.14 449.56 93.99 o 6 16 0 65.21 78.28 92.78 o 7 16 0 1102.43 1120.68 134.58 o 8 16 0 242.00 211.30 123.88 o 9 16 0 549.88 657.51 168.31 o 10 16 0 208.35 148.53 157.06 o 1 17 0 1975.92 1988.54 139.33 o 2 17 0 1126.21 1071.12 114.44 o 3 17 0 917.77 866.45 114.09 o 4 17 0 643.18 654.18 109.16 o 5 17 0 938.59 916.66 124.55 o 6 17 0 2182.77 2303.63 185.19 o 7 17 0 806.48 855.78 141.33 o 8 17 0 2965.53 3131.95 237.11 o 9 17 0 6.22 39.07 148.35 o 0 18 0 5883.50 5598.90 302.27 o 1 18 0 859.14 833.86 118.61 o 2 18 0 3215.71 3161.24 171.21 o 3 18 0 2975.68 2717.60 165.42 o 4 18 0 4267.31 4221.19 196.87 o 5 18 0 1723.76 1725.93 179.12 o 6 18 0 1344.04 1185.30 165.74 o 7 18 0 5618.64 5785.20 274.00 o 8 18 0 85.86 108.51 184.85 o 1 19 0 5352.21 4981.48 213.30 o 2 19 0 1557.49 1529.47 146.79 o 3 19 0 7331.67 7410.64 252.96 o 4 19 0 2574.88 2542.82 203.61 o 5 19 0 4677.76 4703.78 257.32 o 6 19 0 4010.46 4154.69 247.69 o 7 19 0 2035.65 1978.08 218.08 o 0 20 0 7730.49 7574.26 369.88 o 1 20 0 524.44 570.33 130.40 o 2 20 0 14888.65 14828.33 352.25 o 3 20 0 1052.29 1078.82 171.17 o 4 20 0 7034.36 7235.15 313.83 o 5 20 0 4706.38 4656.95 270.92 o 6 20 0 1745.23 1687.57 389.66 o 1 21 0 9049.98 8627.71 300.15 o 2 21 0 293.23 440.26 180.27 o 3 21 0 10164.33 10414.38 466.85 o -16 1 1 147.95 167.08 147.61 o -15 1 1 1173.90 1231.84 157.49 o -14 1 1 1556.04 1520.62 149.81 o -13 1 1 1074.58 1119.74 127.10 o -12 1 1 420.58 407.45 101.15 o -11 1 1 82.06 103.44 68.91 o -10 1 1 1068.67 1115.31 70.14 o -9 1 1 70.54 75.70 46.85 o -8 1 1 3945.90 3896.38 97.05 o -7 1 1 8686.07 8957.26 133.53 o -6 1 1 13.06 21.75 31.34 o -5 1 1 11194.47 12241.11 177.48 o -4 1 1 4945.81 4875.16 89.14 o -3 1 1 18645.20 19344.58 295.78 o -2 1 1 8327.02 8600.75 105.42 o -1 1 1 28347.51 28960.38 364.09 o 0 1 1 18792.79 19608.74 177.67 o 1 1 1 61.56 135.89 14.41 o 2 1 1 52676.64 56612.34 775.06 o 3 1 1 365.18 330.39 21.30 o 4 1 1 12004.58 11835.45 161.92 o 5 1 1 19427.55 21122.86 461.48 o 6 1 1 24605.63 25209.13 354.29 o 7 1 1 3.60 31.12 37.09 o 8 1 1 11600.96 11375.90 154.87 o 9 1 1 175.04 299.10 54.82 o 10 1 1 491.67 600.35 96.50 o 11 1 1 386.35 421.58 94.55 o 12 1 1 2125.13 2062.76 150.63 o 13 1 1 476.86 396.21 121.28 o 14 1 1 995.88 1013.19 150.49 o 15 1 1 1647.48 1689.23 180.04 o -16 2 1 79.66 100.87 145.70 o -15 2 1 4437.34 4575.30 224.18 o -14 2 1 14.30 57.79 115.40 o -13 2 1 7750.16 7900.79 247.08 o -12 2 1 2872.29 2744.39 154.64 o -11 2 1 2855.48 2627.98 124.43 o -10 2 1 2506.65 2523.00 95.62 o -9 2 1 3488.09 3604.53 101.65 o -8 2 1 14960.06 15260.14 182.99 o -7 2 1 285.28 325.49 43.65 o -6 2 1 20076.91 20145.81 303.23 o -5 2 1 4649.58 4650.51 82.45 o -4 2 1 41353.23 43839.04 607.10 o -3 2 1 36938.53 39829.12 406.66 o -2 2 1 10710.76 11121.49 120.31 o -1 2 1 3283.87 3020.51 65.10 o 0 2 1 39691.37 39837.78 856.05 o 1 2 1 19062.88 21206.78 192.15 o 2 2 1 1650.77 1709.82 33.04 o 3 2 1 21125.38 21818.09 426.60 o 4 2 1 8454.52 8439.40 124.19 o 5 2 1 4789.49 4312.43 79.09 o 6 2 1 4050.52 4072.21 83.92 o 7 2 1 21218.63 21012.99 601.04 o 8 2 1 648.49 648.85 56.47 o 9 2 1 4846.59 4888.52 115.72 o 10 2 1 1569.14 1501.56 116.27 o 11 2 1 5419.42 5093.29 192.40 o 12 2 1 182.67 181.77 102.97 o 13 2 1 6787.30 7060.11 250.84 o 14 2 1 4210.91 4360.09 219.78 o 15 2 1 957.34 1076.66 166.69 o -16 3 1 4440.17 4723.40 250.83 o -15 3 1 478.92 497.41 146.42 o -14 3 1 12303.25 12592.25 322.41 o -13 3 1 1186.09 1288.31 137.05 o -12 3 1 8464.10 8468.80 243.18 o -11 3 1 5678.17 5655.42 167.00 o -10 3 1 2113.31 2103.40 92.54 o -9 3 1 10166.68 10279.61 204.32 o -8 3 1 7601.74 7753.33 134.74 o -7 3 1 27106.25 27247.23 245.12 o -6 3 1 104.80 87.45 35.42 o -5 3 1 46952.99 50918.28 473.60 o -4 3 1 1590.49 1759.70 51.47 o -3 3 1 31180.86 32885.31 333.01 o -2 3 1 6265.88 6260.18 74.73 o -1 3 1 18464.86 19572.50 317.15 o 0 3 1 16658.47 17748.63 141.21 o 1 3 1 3323.86 3575.55 60.14 o 2 3 1 109025.33 114642.94 1125.92 o 3 3 1 7450.59 7731.51 113.50 o 4 3 1 29216.90 29911.52 316.91 o 5 3 1 12338.97 12775.22 201.13 o 6 3 1 24546.74 25027.91 268.00 o 7 3 1 952.21 1003.18 58.57 o 8 3 1 28503.72 28363.29 510.60 o 9 3 1 163.08 201.67 56.85 o 10 3 1 7397.00 7704.33 183.14 o 11 3 1 1934.29 1949.16 136.87 o 12 3 1 6674.10 6575.42 230.32 o 13 3 1 2735.82 2849.33 180.98 o 14 3 1 3455.31 3401.41 203.43 o 15 3 1 7589.22 7455.38 280.17 o -16 4 1 213.74 125.39 236.26 o -15 4 1 10895.35 11434.59 323.82 o -14 4 1 11.20 117.21 116.91 o -13 4 1 19061.40 19254.38 370.71 o -12 4 1 2857.89 2791.59 158.43 o -11 4 1 14057.88 14225.18 291.63 o -10 4 1 9686.61 9969.31 173.46 o -9 4 1 7587.51 7780.07 146.82 o -8 4 1 32934.58 32674.20 339.04 o -7 4 1 15591.18 15777.90 181.09 o -6 4 1 43623.16 44432.06 457.87 o -5 4 1 1069.50 1015.15 49.46 o -4 4 1 60168.41 66535.36 511.03 o -3 4 1 1126.77 924.68 32.33 o -2 4 1 30801.76 30868.98 339.03 o -1 4 1 2315.94 2206.72 54.51 o 0 4 1 48307.00 48932.85 456.94 o 1 4 1 27567.16 30081.78 237.68 o 2 4 1 4225.35 4075.38 59.37 o 3 4 1 48467.52 53632.26 598.71 o 4 4 1 15798.33 17146.84 238.84 o 5 4 1 3664.73 3371.86 79.45 o 6 4 1 46.49 84.53 38.73 o 7 4 1 41526.79 43277.85 308.09 o 8 4 1 1100.52 1108.87 67.90 o 9 4 1 17118.55 17412.20 274.65 o 10 4 1 3588.72 3548.88 136.19 o 11 4 1 9695.65 9697.23 255.72 o 12 4 1 8897.51 8617.50 255.31 o 13 4 1 6587.98 6628.84 242.44 o 14 4 1 9155.75 9079.74 291.89 o 15 4 1 696.80 666.14 161.31 o -15 5 1 31.55 88.61 161.94 o -14 5 1 15673.70 15803.38 356.87 o -13 5 1 57.06 88.53 102.42 o -12 5 1 19118.25 19050.41 352.93 o -11 5 1 9052.41 8985.71 206.96 o -10 5 1 31072.15 32292.56 311.87 o -9 5 1 21156.87 21829.17 243.79 o -8 5 1 13231.49 13747.69 183.83 o -7 5 1 27714.36 28677.48 252.13 o -6 5 1 5174.34 5633.80 107.23 o -5 5 1 30586.95 30394.40 323.97 o -4 5 1 361.60 492.81 38.74 o -3 5 1 31597.25 31558.48 679.27 o -2 5 1 1194.04 1168.86 46.72 o -1 5 1 47660.21 48961.52 636.95 o 0 5 1 4357.41 4199.76 62.94 o 1 5 1 22321.15 22911.71 180.50 o 2 5 1 52409.14 54411.54 302.13 o 3 5 1 27650.62 28216.40 402.55 o 4 5 1 11935.92 11796.39 175.46 o 5 5 1 203.36 270.91 40.34 o 6 5 1 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