#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211712.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_2211712_Fobs loop_ _publ_author_name 'Sivaramakrishna, Akella' 'Su, Hong' 'Moss, John R.' _publ_section_title ; trans-Bromohydridobis(triphenylphosphine)platinum(II) ; _journal_coeditor_code AT2188 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m244 _journal_page_last m245 _journal_volume 63 _journal_year 2007 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.618 _cell_angle_gamma 90.000 _cell_length_a 15.2835 _cell_length_b 9.5241 _cell_length_c 22.5045 _exptl_crystal_F_000 1560.00 _reflns_d_resolution_high 0.8120 _[local]_cod_data_source_file at2188Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' rk105c2c in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 556.96 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 4 0 0 9059.68 8197.65 179.41 o 6 0 0 166799.78 163017.64 2389.36 o 8 0 0 216099.42 221852.55 2985.53 o 10 0 0 61727.28 62411.42 1093.21 o 12 0 0 22982.47 23109.72 707.31 o 14 0 0 30633.03 29750.97 1205.86 o 16 0 0 24944.14 23176.84 1414.91 o 18 0 0 16725.06 16312.37 1617.81 o 3 1 0 156973.13 162618.77 2061.70 o 5 1 0 64492.09 62819.16 877.06 o 7 1 0 35292.18 34672.30 512.85 o 9 1 0 74882.81 76168.75 881.60 o 11 1 0 39414.22 39569.93 595.64 o 13 1 0 21339.27 21961.84 565.97 o 15 1 0 8037.74 8317.26 562.90 o 17 1 0 21613.80 21073.57 1184.80 o 0 2 0 54283.79 55606.27 764.82 o 2 2 0 15960.70 16947.10 201.00 o 4 2 0 4984.52 5205.29 133.09 o 6 2 0 6397.13 6273.41 140.64 o 8 2 0 31475.69 32260.89 506.64 o 10 2 0 34757.64 35033.29 583.78 o 12 2 0 11024.41 10857.05 411.98 o 14 2 0 7211.40 7134.62 409.85 o 16 2 0 5354.03 4746.41 506.59 o 1 3 0 41392.30 40161.60 406.02 o 3 3 0 47719.61 46924.80 558.78 o 5 3 0 24402.82 24181.42 368.88 o 7 3 0 22269.16 20769.62 374.13 o 9 3 0 50028.36 50760.04 645.89 o 11 3 0 36762.49 38864.66 622.76 o 13 3 0 10771.43 10996.57 495.46 o 15 3 0 8148.14 9294.96 793.03 o 17 3 0 15293.59 14538.59 1055.03 o 0 4 0 160264.05 159470.45 1791.79 o 2 4 0 84497.22 79832.60 785.63 o 4 4 0 45904.45 43564.60 507.94 o 6 4 0 62579.65 60889.29 760.42 o 8 4 0 69562.54 68586.22 780.03 o 10 4 0 45093.93 45158.43 703.59 o 12 4 0 16378.26 17270.36 497.48 o 14 4 0 17346.49 16982.95 650.27 o 16 4 0 19190.64 20399.17 908.52 o 1 5 0 46762.91 46253.03 456.16 o 3 5 0 38203.86 37707.70 453.69 o 5 5 0 24014.50 23810.40 370.04 o 7 5 0 16463.99 16766.87 417.75 o 9 5 0 34316.64 35348.74 561.93 o 11 5 0 10654.24 11211.87 415.18 o 13 5 0 6747.31 6793.33 519.74 o 15 5 0 7936.07 6214.49 674.45 o 0 6 0 12697.22 13449.42 351.81 o 2 6 0 5045.61 5715.13 189.25 o 4 6 0 5594.72 5976.13 182.61 o 6 6 0 3269.58 3704.53 219.06 o 8 6 0 15127.63 15494.74 349.36 o 10 6 0 3245.63 3128.18 348.61 o 12 6 0 2247.64 1845.82 350.38 o 14 6 0 2505.69 2903.47 666.34 o 1 7 0 8110.14 8741.93 287.14 o 3 7 0 15614.82 16625.86 333.81 o 5 7 0 29142.83 29478.88 572.22 o 7 7 0 8106.23 8399.64 323.72 o 9 7 0 9399.00 8904.91 301.89 o 11 7 0 9848.12 9348.81 421.43 o 13 7 0 6637.15 6300.77 764.56 o 0 8 0 21612.66 22096.34 633.53 o 2 8 0 27627.53 27929.59 516.58 o 4 8 0 23053.65 23126.21 425.80 o 6 8 0 26772.36 26570.67 564.10 o 8 8 0 21922.06 21116.15 651.46 o 10 8 0 11416.24 10779.06 649.32 o 12 8 0 11194.11 10723.31 1041.76 o 1 9 0 4221.76 3914.01 250.23 o 3 9 0 11901.96 11755.55 364.96 o 5 9 0 14087.30 13316.84 482.49 o 7 9 0 6348.43 6028.76 323.03 o 9 9 0 2647.33 2398.75 542.08 o 11 9 0 3425.47 2949.29 701.65 o 0 10 0 188.82 149.94 366.30 o 2 10 0 604.27 612.16 269.88 o 4 10 0 952.89 369.73 319.78 o 6 10 0 3113.72 2783.09 548.72 o 8 10 0 230.48 253.42 870.37 o 1 11 0 783.38 384.31 449.12 o 3 11 0 3951.80 3220.88 523.41 o 5 11 0 7381.28 6792.09 813.28 o -17 1 1 458.85 -170.39 554.47 o -15 1 1 51.52 -309.43 309.43 o -13 1 1 4612.00 4110.28 262.70 o -11 1 1 395.61 197.34 225.48 o -9 1 1 189.71 257.90 94.40 o -7 1 1 379.34 169.32 110.22 o -5 1 1 44084.22 43066.75 523.50 o -3 1 1 32090.90 31945.81 445.28 o 3 1 1 56440.95 55148.29 602.27 o 5 1 1 8510.48 8125.81 146.99 o 7 1 1 777.54 1295.53 138.74 o 9 1 1 6459.18 6057.15 194.07 o 11 1 1 5645.52 5406.13 209.72 o 13 1 1 913.94 901.27 198.25 o 15 1 1 206.53 199.86 471.67 o 17 1 1 770.72 466.62 851.96 o -16 2 1 246.81 915.69 433.74 o -14 2 1 105.67 423.89 323.45 o -12 2 1 2946.28 3031.40 266.14 o -10 2 1 4699.60 5208.95 356.43 o -8 2 1 79.30 147.58 145.85 o -6 2 1 2545.48 2617.34 112.24 o -4 2 1 11776.21 12429.33 225.31 o -2 2 1 2802.03 3267.62 108.33 o 0 2 1 3701.54 4004.84 77.88 o 2 2 1 21369.32 22214.84 284.35 o 4 2 1 1087.01 1139.46 95.37 o 6 2 1 828.49 1010.55 128.47 o 8 2 1 1718.36 1613.71 165.61 o 10 2 1 2600.76 2526.46 210.26 o 12 2 1 2469.89 2261.09 209.05 o 14 2 1 355.49 613.34 310.22 o 16 2 1 2792.95 2472.42 441.09 o -17 3 1 3350.36 2429.18 789.10 o -15 3 1 257.32 -272.00 286.79 o -13 3 1 2945.01 2807.63 283.95 o -11 3 1 14927.98 14979.14 369.81 o -9 3 1 18395.66 17841.71 339.70 o -7 3 1 31187.54 31531.16 425.18 o -5 3 1 11884.72 11033.31 271.99 o -3 3 1 38949.24 37443.02 440.29 o -1 3 1 26499.21 24392.57 257.86 o 1 3 1 25939.60 24162.10 272.42 o 3 3 1 39074.12 38339.86 460.35 o 5 3 1 5732.31 5077.00 142.87 o 7 3 1 15715.06 15344.45 296.27 o 9 3 1 19743.97 19709.50 367.05 o 11 3 1 5450.32 5107.43 328.05 o 13 3 1 3624.75 3559.98 336.50 o 15 3 1 4475.33 5049.61 490.16 o 17 3 1 4105.54 3456.80 863.51 o -16 4 1 1308.65 164.82 520.08 o -14 4 1 278.75 240.21 352.68 o -12 4 1 1384.34 1096.38 239.47 o -10 4 1 13400.55 13642.77 364.52 o -8 4 1 8237.35 8067.97 254.19 o -6 4 1 2489.29 2828.55 232.61 o -4 4 1 8425.87 8925.27 186.79 o -2 4 1 3469.19 3235.76 119.19 o 0 4 1 28774.85 29562.87 329.82 o 2 4 1 8180.03 8661.85 163.39 o 4 4 1 1371.03 1391.94 96.42 o 6 4 1 8340.06 8667.23 192.65 o 8 4 1 10898.13 10408.16 308.28 o 10 4 1 5421.51 5193.81 278.63 o 12 4 1 914.01 598.82 226.84 o 14 4 1 1407.87 1121.56 223.95 o 16 4 1 7871.73 6583.77 929.52 o -15 5 1 64.90 776.05 561.13 o -13 5 1 121.39 26.14 264.43 o -11 5 1 1893.40 1524.42 231.63 o -9 5 1 5666.62 5895.62 232.20 o -7 5 1 283.73 157.97 157.28 o -5 5 1 4540.78 4537.58 173.92 o -3 5 1 804.73 1187.52 114.91 o -1 5 1 9131.61 9749.98 180.91 o 1 5 1 149.10 101.20 85.52 o 3 5 1 1222.33 896.67 120.41 o 5 5 1 2218.18 2669.65 161.69 o 7 5 1 10837.76 11617.55 314.20 o 9 5 1 518.56 453.10 186.28 o 11 5 1 57.62 264.65 275.81 o 13 5 1 923.30 673.84 278.00 o 15 5 1 1987.05 1272.73 732.62 o -14 6 1 882.57 636.57 487.51 o -12 6 1 3134.40 3692.45 338.72 o -10 6 1 17619.08 17965.65 375.17 o -8 6 1 20667.84 20942.01 541.25 o -6 6 1 1138.73 1069.04 195.88 o -4 6 1 1822.11 1954.09 169.71 o -2 6 1 23044.95 23505.99 316.95 o 0 6 1 24611.56 23863.73 309.31 o 2 6 1 14339.72 15235.24 246.78 o 4 6 1 4778.66 5055.67 168.24 o 6 6 1 13762.15 14061.44 303.74 o 8 6 1 17096.41 17645.18 467.07 o 10 6 1 12475.99 12269.59 375.84 o 12 6 1 959.26 1581.24 330.90 o 14 6 1 1541.22 1840.92 661.16 o -13 7 1 10493.81 9595.72 826.51 o -11 7 1 22667.55 23823.65 618.94 o -9 7 1 21419.17 21120.47 488.62 o -7 7 1 36534.05 38031.69 657.36 o -5 7 1 14349.87 14694.82 352.50 o -3 7 1 36609.54 36596.81 538.87 o -1 7 1 54671.54 55787.79 647.44 o 1 7 1 47667.07 47790.71 545.80 o 3 7 1 18915.89 18769.03 346.44 o 5 7 1 21766.12 22300.60 374.30 o 7 7 1 41535.66 42979.63 746.95 o 9 7 1 25121.21 26288.00 654.68 o 11 7 1 10093.87 9031.80 618.27 o 13 7 1 3590.02 4146.62 633.78 o -12 8 1 10541.52 9198.41 874.27 o -10 8 1 18456.93 18073.00 651.17 o -8 8 1 12838.17 12975.01 520.68 o -6 8 1 11152.84 11846.22 368.61 o -4 8 1 10602.84 11043.98 317.87 o -2 8 1 26381.23 27474.11 454.05 o 0 8 1 21611.26 23135.29 411.96 o 2 8 1 16293.84 16583.69 339.65 o 4 8 1 3261.48 3302.98 216.10 o 6 8 1 13173.16 13507.90 353.21 o 8 8 1 11632.63 12367.62 523.34 o 10 8 1 16571.91 16730.11 833.97 o 12 8 1 3477.40 4172.21 671.79 o -11 9 1 5412.79 5408.56 822.21 o -9 9 1 8367.74 7301.29 551.64 o -7 9 1 3647.03 2828.41 379.72 o -5 9 1 250.89 1191.59 283.80 o -3 9 1 6779.45 6539.22 357.39 o -1 9 1 13184.34 13293.12 341.85 o 1 9 1 4528.51 4508.09 243.09 o 3 9 1 280.03 172.64 199.37 o 5 9 1 2429.78 2470.25 329.86 o 7 9 1 6377.19 5910.78 481.23 o 9 9 1 4890.94 4747.20 674.31 o 11 9 1 4091.66 2333.78 667.38 o -8 10 1 11436.03 11290.92 994.91 o -6 10 1 2989.75 2941.85 523.34 o -4 10 1 5252.55 4779.82 414.77 o -2 10 1 22270.78 21839.45 646.86 o 0 10 1 17030.69 17615.30 490.40 o 2 10 1 8108.99 7629.72 482.38 o 4 10 1 5208.65 4464.56 453.23 o 6 10 1 10519.16 12015.49 1226.98 o 8 10 1 20307.65 22712.13 1217.54 o -5 11 1 10734.89 11216.56 893.43 o -3 11 1 19034.35 20024.35 1007.56 o -1 11 1 30016.43 29419.96 1209.79 o 1 11 1 24745.98 25723.10 934.03 o 3 11 1 11149.02 10622.74 867.35 o 5 11 1 17213.95 15361.99 1083.54 o -18 0 2 22024.23 24723.12 1648.92 o -16 0 2 25533.62 24479.68 2343.99 o -14 0 2 20447.81 20739.78 1098.63 o -12 0 2 19058.99 19288.64 570.45 o -10 0 2 153802.67 155728.06 2824.71 o -8 0 2 92827.17 88898.71 1407.92 o -6 0 2 7146.75 6242.60 249.52 o -4 0 2 129105.75 125761.80 2115.59 o 2 0 2 8380.99 7658.59 201.00 o 4 0 2 182714.31 183960.75 3026.07 o 6 0 2 180557.03 176003.47 2786.31 o 8 0 2 84021.78 81489.09 1398.96 o 10 0 2 51175.46 49695.33 996.18 o 12 0 2 65052.88 64758.79 1197.28 o 14 0 2 17239.49 16960.85 858.37 o 16 0 2 25089.84 26945.25 2378.29 o -17 1 2 8837.23 8353.16 763.52 o -15 1 2 5789.00 6185.35 348.04 o -13 1 2 30035.67 30624.98 839.29 o -11 1 2 61152.32 61528.00 838.52 o -9 1 2 27747.24 27490.25 469.99 o -7 1 2 10780.37 9607.88 225.36 o -5 1 2 86005.01 85696.80 1221.91 o -3 1 2 103965.80 104193.51 1448.28 o 1 1 2 8097.00 8076.02 152.99 o 3 1 2 51791.55 51797.58 538.57 o 5 1 2 33071.60 32246.22 416.95 o 7 1 2 102815.55 101489.20 1094.00 o 9 1 2 75818.80 76398.13 861.37 o 11 1 2 7569.93 7442.87 271.63 o 13 1 2 12270.78 12199.62 360.14 o 15 1 2 26655.77 25659.08 1029.20 o 17 1 2 23568.12 21824.68 1942.85 o -18 2 2 7004.38 6595.30 1150.96 o -16 2 2 4569.98 4601.48 414.84 o -14 2 2 14447.57 13492.76 491.21 o -12 2 2 9797.93 9998.04 306.75 o -10 2 2 17284.09 17171.91 383.13 o -8 2 2 21566.45 21230.77 430.80 o -6 2 2 11827.47 13119.60 252.51 o -4 2 2 17147.27 17487.81 298.64 o -2 2 2 84301.16 87016.81 1076.23 o 0 2 2 57462.80 59383.98 616.40 o 2 2 2 14039.10 14975.75 206.02 o 4 2 2 15277.98 15760.09 213.10 o 6 2 2 16602.01 16468.78 274.56 o 8 2 2 29608.67 30281.60 508.97 o 10 2 2 15788.07 16400.53 355.10 o 12 2 2 2617.34 2718.05 258.86 o 14 2 2 3845.05 4492.10 363.79 o 16 2 2 14979.64 14523.59 992.57 o -17 3 2 8319.46 6996.07 724.47 o -15 3 2 9334.20 9009.47 512.48 o -13 3 2 15777.75 16956.85 549.20 o -11 3 2 42807.04 43008.42 966.24 o -9 3 2 31220.68 31821.39 457.19 o -7 3 2 34614.85 34861.61 458.06 o -5 3 2 48755.26 48420.86 638.84 o -3 3 2 74867.66 73613.89 785.41 o -1 3 2 137562.38 138537.39 1283.07 o 1 3 2 109711.38 108161.85 1079.42 o 3 3 2 23312.76 22684.51 286.07 o 5 3 2 36633.82 35181.24 455.46 o 7 3 2 74470.27 73755.31 907.26 o 9 3 2 38557.49 39916.79 642.62 o 11 3 2 5991.24 6012.86 304.09 o 13 3 2 12372.57 11644.02 440.04 o 15 3 2 16699.27 17064.83 874.44 o 17 3 2 12559.66 11842.25 1072.24 o -16 4 2 13514.77 13205.93 709.30 o -14 4 2 18841.03 19616.80 673.18 o -12 4 2 33496.96 35294.39 733.59 o -10 4 2 68331.96 69989.05 924.12 o -8 4 2 56979.71 57500.61 813.72 o -6 4 2 62256.85 62585.88 747.93 o -4 4 2 80808.37 78384.11 933.83 o -2 4 2 149690.88 147397.78 1388.13 o 0 4 2 141992.55 139530.89 1346.27 o 2 4 2 46646.03 43536.09 442.73 o 4 4 2 63425.46 60932.59 593.54 o 6 4 2 114099.52 114616.88 1209.14 o 8 4 2 71251.05 73919.19 1039.42 o 10 4 2 26484.90 26844.03 561.85 o 12 4 2 28129.88 29128.54 648.79 o 14 4 2 22943.81 23408.50 823.18 o 16 4 2 14676.97 14294.77 1177.75 o -15 5 2 2910.02 2834.51 495.17 o -13 5 2 16733.14 16119.84 577.76 o -11 5 2 31308.30 32079.74 519.38 o -9 5 2 31073.45 30964.44 511.27 o -7 5 2 13557.67 13910.71 295.80 o -5 5 2 35705.00 35598.35 459.08 o -3 5 2 33950.91 33138.82 464.89 o -1 5 2 38103.77 39219.66 451.89 o 1 5 2 22182.87 20911.74 253.27 o 3 5 2 35740.07 35391.05 401.68 o 5 5 2 30033.66 30666.55 448.89 o 7 5 2 32332.26 32667.04 450.21 o 9 5 2 25041.23 25403.63 484.62 o 11 5 2 14671.47 15048.10 459.35 o 13 5 2 15076.63 14867.75 671.83 o 15 5 2 13066.43 11483.72 894.08 o -14 6 2 4856.20 4070.16 590.45 o -12 6 2 4854.41 4704.18 303.00 o -10 6 2 6055.38 6208.93 335.40 o -8 6 2 7188.32 7617.05 286.82 o -6 6 2 8297.84 8471.83 401.29 o -4 6 2 1707.92 2190.88 189.21 o -2 6 2 4256.02 4611.67 170.79 o 0 6 2 13411.63 14417.13 226.75 o 2 6 2 4635.30 5100.99 157.68 o 4 6 2 7817.67 7731.97 198.00 o 6 6 2 2795.41 2838.51 230.30 o 8 6 2 11864.43 11591.52 359.94 o 10 6 2 3275.20 3370.47 401.59 o 12 6 2 7146.48 6430.75 393.55 o 14 6 2 4883.33 6408.46 1188.75 o -13 7 2 9862.64 11209.95 873.43 o -11 7 2 9959.41 9889.41 351.84 o -9 7 2 10071.51 10234.28 357.80 o -7 7 2 6104.61 7237.87 251.06 o -5 7 2 25979.14 26788.91 528.67 o -3 7 2 11825.78 12643.00 328.46 o -1 7 2 14757.07 14756.56 309.08 o 1 7 2 28309.88 28546.97 376.15 o 3 7 2 17242.26 17697.19 339.30 o 5 7 2 12274.03 12278.67 322.43 o 7 7 2 14910.14 15626.98 434.48 o 9 7 2 6800.45 6663.67 332.50 o 11 7 2 7763.20 7694.90 559.73 o 13 7 2 6727.74 6011.50 897.17 o -12 8 2 7836.59 7568.70 727.63 o -10 8 2 16667.14 17033.65 568.99 o -8 8 2 23854.16 26013.31 707.36 o -6 8 2 25605.18 25394.59 688.88 o -4 8 2 21990.48 22372.56 509.82 o -2 8 2 30800.75 31618.12 502.55 o 0 8 2 26698.51 27534.61 448.82 o 2 8 2 40465.12 40142.70 638.12 o 4 8 2 42441.20 43569.70 696.54 o 6 8 2 12094.62 12556.92 407.00 o 8 8 2 9754.52 9731.35 482.09 o 10 8 2 18172.99 18174.92 969.05 o 12 8 2 14064.15 15125.58 1118.43 o -11 9 2 2517.22 3884.08 746.84 o -9 9 2 7559.36 6856.02 575.97 o -7 9 2 13697.83 12633.83 493.08 o -5 9 2 4435.39 4627.07 323.32 o -3 9 2 6540.53 5976.04 401.96 o -1 9 2 7511.53 7618.42 269.74 o 1 9 2 11439.97 10908.12 328.71 o 3 9 2 6247.68 6267.21 332.87 o 5 9 2 9015.13 8799.11 370.62 o 7 9 2 5850.07 5775.01 483.61 o 9 9 2 3480.33 4741.51 756.75 o 11 9 2 3011.49 3168.56 741.51 o -8 10 2 1628.78 661.22 750.14 o -6 10 2 1081.84 360.84 510.59 o -4 10 2 99.34 -277.93 346.65 o -2 10 2 33.77 -118.36 291.46 o 0 10 2 104.45 595.69 255.80 o 2 10 2 1387.92 893.87 305.91 o 4 10 2 1699.52 1310.14 311.31 o 6 10 2 36.31 6.47 647.03 o 8 10 2 108.82 1014.05 744.42 o -5 11 2 4792.00 5135.00 669.20 o -3 11 2 325.22 -17.24 662.08 o -1 11 2 75.49 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