#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:35:00 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181072 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/52/2215264.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_2215264_Fobs loop_ _publ_author_name 'Song, Ah-Ran' 'Hwang, In-Chul' 'Ha, Kwang' _publ_section_title ; Tetra-\m~3~-bromido-tetrakis[trimethylplatinum(IV)] ; _journal_coeditor_code SI2029 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2259 _journal_volume 63 _journal_year 2007 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 95.681 _cell_angle_gamma 90.000 _cell_length_a 13.8146 _cell_length_b 14.0793 _cell_length_c 12.8194 _exptl_crystal_F_000 2240.00 _reflns_d_resolution_high 0.7991 _cod_data_source_file si2029Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Pt4Br4Me12' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1288.14 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, 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 2 0 0 62464.16 75992.02 1455.39 o 4 0 0 80594.34 86115.76 2111.11 o 6 0 0 629751.13 647935.38 7796.72 o 8 0 0 57199.34 55456.66 2406.99 o 10 0 0 6743.92 6181.40 1143.52 o 12 0 0 11563.33 11823.37 1001.40 o 14 0 0 6884.98 6826.75 913.69 o 16 0 0 12580.03 13315.21 1307.69 o 1 1 0 211709.63 216880.05 3267.18 o 3 1 0 86102.62 87678.11 1048.03 o 5 1 0 236174.19 256581.06 3102.18 o 7 1 0 50593.97 50403.07 1607.82 o 9 1 0 5157.56 6019.41 779.76 o 11 1 0 12099.71 11217.19 748.02 o 13 1 0 40625.69 42919.67 1268.13 o 15 1 0 3313.40 3706.90 561.03 o 17 1 0 10076.53 10687.00 1088.42 o 0 2 0 460584.16 424890.00 6037.47 o 2 2 0 233844.00 241692.23 3539.97 o 4 2 0 66184.60 66704.13 595.44 o 6 2 0 4904.20 5122.99 338.37 o 8 2 0 893.73 1224.42 196.86 o 10 2 0 550.43 977.44 325.80 o 12 2 0 16367.44 15989.03 929.40 o 14 2 0 6775.32 6822.39 635.71 o 16 2 0 2256.01 2233.49 613.26 o 1 3 0 125249.09 123622.57 1090.21 o 3 3 0 162.51 389.06 90.08 o 5 3 0 24772.96 25181.03 564.39 o 7 3 0 70193.20 71751.40 606.85 o 9 3 0 95715.80 97264.00 1814.16 o 11 3 0 127508.78 131338.98 2346.63 o 13 3 0 941.86 1442.14 573.63 o 15 3 0 99429.74 103501.83 2870.91 o 2 4 0 112461.36 97919.32 1824.64 o 4 4 0 17981.27 15518.28 540.25 o 6 4 0 97842.43 108985.85 1489.49 o 8 4 0 25582.43 25272.72 843.55 o 10 4 0 11634.79 12678.01 775.66 o 12 4 0 70776.14 71959.65 5733.59 o 14 4 0 36955.22 42081.70 3742.43 o 16 4 0 21.91 143.32 417.27 o 1 5 0 801.28 3667.86 1940.76 o 3 5 0 4965.69 4343.42 302.19 o 5 5 0 3641.84 3384.09 262.50 o 7 5 0 4293.53 4587.77 246.89 o 9 5 0 33352.49 34256.38 1093.04 o 11 5 0 62235.40 63745.82 6845.12 o 13 5 0 11670.18 12717.72 1815.24 o 15 5 0 54702.75 56699.44 2679.44 o 0 6 0 745345.31 714379.31 6653.20 o 2 6 0 35754.95 35294.56 803.49 o 4 6 0 24814.87 26184.79 1163.93 o 6 6 0 121359.32 132616.81 1565.87 o 8 6 0 13395.54 13393.47 598.86 o 10 6 0 34.94 434.38 531.07 o 12 6 0 364.31 977.10 566.44 o 14 6 0 294.96 795.72 610.67 o 16 6 0 5083.86 5258.68 1031.11 o 1 7 0 203020.55 206052.81 2123.64 o 3 7 0 52001.29 53024.77 1562.73 o 5 7 0 210310.56 235111.94 5213.81 o 7 7 0 56804.75 59102.86 2067.05 o 9 7 0 18151.55 19748.26 923.37 o 11 7 0 983.08 1330.20 629.92 o 13 7 0 41792.89 47435.10 4294.19 o 15 7 0 10.60 -119.95 783.67 o 0 8 0 1042097.13 1021961.94 9412.04 o 2 8 0 41021.77 43752.67 1490.17 o 4 8 0 45500.28 47257.55 1877.89 o 6 8 0 193455.84 210324.03 3363.84 o 8 8 0 15340.06 15200.93 719.92 o 10 8 0 3778.54 4055.09 896.45 o 12 8 0 1701.90 2781.90 844.80 o 14 8 0 1406.09 2127.10 1047.56 o 1 9 0 3078.71 2954.06 429.29 o 3 9 0 17153.16 17207.18 741.76 o 5 9 0 20259.78 20867.11 2471.17 o 7 9 0 1117.78 1191.99 313.28 o 9 9 0 420.32 481.77 296.02 o 11 9 0 19509.01 20179.50 2123.11 o 13 9 0 2827.12 2638.89 1223.49 o 0 10 0 14843.55 15129.63 1159.51 o 2 10 0 101666.38 105925.22 1887.63 o 4 10 0 24297.56 25934.74 1217.42 o 6 10 0 23814.77 27053.93 2116.05 o 8 10 0 9157.81 8934.86 706.38 o 10 10 0 1815.34 2445.20 487.07 o 12 10 0 26750.44 25277.36 2814.82 o 14 10 0 12169.06 14481.91 2383.00 o 1 11 0 40228.18 39048.36 1353.53 o 3 11 0 17.53 236.85 347.33 o 5 11 0 9484.08 10216.13 639.97 o 7 11 0 26500.18 27796.92 1443.92 o 9 11 0 41979.84 44433.89 1410.32 o 11 11 0 46714.82 42438.14 3294.61 o 13 11 0 117.82 351.85 1015.57 o 0 12 0 18298.30 17576.60 1335.44 o 2 12 0 16974.18 15905.31 1271.46 o 4 12 0 1032.57 948.72 375.03 o 6 12 0 5663.03 6318.66 473.42 o 8 12 0 58.47 322.67 316.63 o 10 12 0 4992.55 5455.81 940.75 o 12 12 0 8913.28 9987.80 2151.09 o 1 13 0 16696.69 15473.69 989.53 o 3 13 0 4689.99 5378.61 484.19 o 5 13 0 19324.43 19758.27 756.23 o 7 13 0 6818.30 7602.46 763.25 o 9 13 0 974.04 1284.24 463.13 o 11 13 0 5593.96 6965.07 1911.20 o 0 14 0 223833.34 239147.38 3966.61 o 2 14 0 1791.27 2122.89 402.23 o 4 14 0 3702.03 3322.42 457.25 o 6 14 0 54045.70 53874.51 1265.48 o 8 14 0 11242.38 12524.83 1016.95 o 10 14 0 165.61 374.36 559.03 o 1 15 0 22031.80 21972.20 907.58 o 3 15 0 9625.65 9227.01 664.70 o 5 15 0 31261.19 31370.87 1089.99 o 7 15 0 5064.54 6242.00 819.73 o 0 16 0 63925.27 65663.34 2261.77 o 2 16 0 14044.84 12775.38 794.21 o 4 16 0 11031.13 10447.82 740.97 o 6 16 0 6918.18 6520.62 978.03 o 1 17 0 3839.81 4268.95 594.68 o 3 17 0 1128.81 1255.39 385.88 o -16 0 1 4028.39 3479.91 805.94 o -14 0 1 4052.37 4744.04 768.54 o -12 0 1 52104.76 51074.29 1779.42 o -10 0 1 245.63 347.16 276.73 o -8 0 1 63146.05 56368.39 1594.54 o -6 0 1 27153.30 25157.96 1722.60 o -4 0 1 189945.98 196010.22 5613.79 o -2 0 1 395394.31 361209.31 28092.18 o 0 0 1 22922.83 20829.73 1091.54 o 2 0 1 26160.84 27095.52 1651.31 o 4 0 1 1659311.50 1367589.25 22318.59 o 6 0 1 99464.26 106947.00 3158.67 o 8 0 1 28217.94 29395.63 1951.18 o 10 0 1 298894.25 300945.34 6693.18 o 12 0 1 7446.29 7772.73 1487.37 o 14 0 1 56.82 -87.96 791.67 o 16 0 1 1677.66 943.57 743.69 o -17 1 1 1296.06 1503.17 546.74 o -15 1 1 338.35 666.08 329.13 o -13 1 1 10259.31 10978.66 712.14 o -11 1 1 426.32 683.57 256.43 o -9 1 1 45566.27 42919.97 1180.36 o -7 1 1 40099.75 38370.80 573.84 o -5 1 1 7347.00 9401.12 293.77 o -3 1 1 62589.59 65743.20 756.99 o -1 1 1 441976.50 444325.25 9096.15 o 1 1 1 599137.50 572712.38 3333.93 o 3 1 1 83.35 185.02 117.73 o 5 1 1 617494.88 587018.63 4663.45 o 7 1 1 55420.75 57901.89 1605.46 o 9 1 1 24231.50 25664.29 1401.45 o 11 1 1 43327.48 42408.78 1900.46 o 13 1 1 191.71 843.65 1239.48 o 15 1 1 3068.59 3134.17 509.35 o 17 1 1 10899.73 12681.31 1241.67 o -16 2 1 13413.79 13872.82 1134.30 o -14 2 1 5930.97 6747.52 639.32 o -12 2 1 27184.42 26172.96 940.21 o -10 2 1 131003.36 141422.03 3886.36 o -8 2 1 3946.86 4278.79 331.52 o -6 2 1 4885.67 5347.94 318.52 o -4 2 1 12022.37 13347.00 363.66 o -2 2 1 2843.86 4021.49 296.63 o 0 2 1 19389.22 21973.37 443.67 o 2 2 1 62844.47 61718.67 1383.31 o 4 2 1 150502.86 152229.59 2838.89 o 6 2 1 140840.75 141782.92 1536.88 o 8 2 1 42570.32 41533.54 902.18 o 10 2 1 8784.93 8505.17 997.91 o 12 2 1 17.19 425.70 665.79 o 14 2 1 1702.12 1907.63 539.70 o 16 2 1 14829.97 17082.67 1317.98 o -17 3 1 18750.87 20266.45 1641.75 o -15 3 1 5267.98 6229.34 803.39 o -13 3 1 17286.18 17413.80 842.54 o -11 3 1 216081.41 220626.13 4740.09 o -9 3 1 678.94 1145.73 281.63 o -7 3 1 249736.80 273497.22 2875.22 o -5 3 1 331170.31 349209.06 5465.30 o -3 3 1 60766.48 56768.58 781.93 o -1 3 1 11218.80 14989.74 340.34 o 1 3 1 12011.80 9923.54 319.72 o 3 3 1 143476.97 131747.45 4957.62 o 5 3 1 162.54 96.81 86.09 o 7 3 1 10319.13 9564.12 459.38 o 9 3 1 17300.68 17355.09 1271.77 o 11 3 1 27438.26 27154.87 1121.30 o 13 3 1 5639.22 6371.98 1098.82 o 15 3 1 28638.90 29344.91 2558.92 o -16 4 1 57074.53 56436.75 2394.37 o -14 4 1 11848.17 12683.34 992.77 o -12 4 1 12691.00 13849.38 2122.50 o -10 4 1 383310.94 388078.50 3972.00 o -8 4 1 1838.21 2552.56 538.34 o -6 4 1 11.56 587.85 212.32 o -4 4 1 149283.02 153190.53 1202.05 o -2 4 1 97330.68 100473.96 999.30 o 0 4 1 6169.61 6173.56 261.07 o 2 4 1 57842.31 54062.18 1297.34 o 4 4 1 504.20 1037.94 106.45 o 6 4 1 95756.87 92129.48 1968.75 o 8 4 1 23426.54 23034.35 562.55 o 10 4 1 30168.34 31597.16 1401.00 o 12 4 1 2093.51 2206.23 727.06 o 14 4 1 8153.23 8804.44 1334.80 o 16 4 1 48878.49 52915.35 5577.65 o -15 5 1 370.80 -84.36 423.52 o -13 5 1 11533.20 11638.86 935.87 o -11 5 1 98772.55 100401.66 4130.26 o -9 5 1 7985.26 9018.67 522.14 o -7 5 1 131036.57 141786.52 2034.96 o -5 5 1 110027.48 117933.17 1090.98 o -3 5 1 3638.41 3878.47 250.08 o -1 5 1 9330.23 8218.54 328.80 o 1 5 1 50057.25 48163.33 723.50 o 3 5 1 16424.95 15060.54 573.97 o 5 5 1 30484.78 31305.71 559.94 o 7 5 1 14431.55 14073.82 413.75 o 9 5 1 52.96 50.19 161.35 o 11 5 1 1781.72 1786.77 703.49 o 13 5 1 2804.58 3549.22 878.93 o 15 5 1 11850.44 14233.87 1713.01 o -16 6 1 234.06 399.83 538.26 o -14 6 1 10686.76 11357.05 1175.75 o -12 6 1 40100.91 40747.69 4246.21 o -10 6 1 17178.70 18863.49 1321.20 o -8 6 1 31261.36 30113.10 1386.71 o -6 6 1 8759.22 8440.71 355.05 o -4 6 1 30553.15 29696.06 665.61 o -2 6 1 58442.09 62212.71 937.45 o 0 6 1 7911.02 7504.83 349.36 o 2 6 1 1646.81 1484.27 295.21 o 4 6 1 353228.19 376660.72 4507.21 o 6 6 1 50006.43 50315.79 1268.36 o 8 6 1 8230.51 8229.14 502.92 o 10 6 1 73028.46 75243.39 2722.26 o 12 6 1 1907.60 3110.16 819.43 o 14 6 1 1498.91 1568.96 721.84 o 16 6 1 513.43 164.67 771.94 o -15 7 1 1474.34 1864.58 662.73 o -13 7 1 5665.97 6397.03 955.80 o -11 7 1 4633.64 4133.80 849.86 o -9 7 1 55653.64 54197.77 1737.71 o -7 7 1 6272.65 6299.36 389.04 o -5 7 1 48499.75 49849.16 934.96 o -3 7 1 56586.48 54032.35 944.96 o -1 7 1 336286.56 343500.78 3506.40 o 1 7 1 364297.44 361739.88 3724.97 o 3 7 1 15858.16 15214.78 500.36 o 5 7 1 405545.56 418210.13 9327.75 o 7 7 1 37290.93 38018.38 752.54 o 9 7 1 35091.14 36113.31 1084.66 o 11 7 1 50055.32 49275.41 3642.47 o 13 7 1 1015.50 536.13 635.66 o 15 7 1 179.34 219.65 610.06 o -14 8 1 1063.49 1210.67 547.33 o -12 8 1 25751.54 24597.65 2335.02 o -10 8 1 1108.67 1764.27 511.97 o -8 8 1 14434.87 14379.29 1076.55 o -6 8 1 9696.23 9664.44 523.43 o -4 8 1 59872.28 58472.18 1168.99 o -2 8 1 92769.79 97077.01 1359.86 o 0 8 1 8908.19 9667.59 486.25 o 2 8 1 3565.91 3658.37 316.55 o 4 8 1 517766.34 536488.63 11537.99 o 6 8 1 42634.33 44027.28 1329.70 o 8 8 1 20850.54 20522.76 959.15 o 10 8 1 118961.94 120643.19 3711.59 o 12 8 1 1902.71 2718.36 879.34 o 14 8 1 437.11 176.66 607.88 o -13 9 1 5549.18 5479.68 916.48 o -11 9 1 14716.88 17856.48 2223.06 o -9 9 1 660.96 992.43 399.45 o -7 9 1 36452.72 37742.92 1033.85 o -5 9 1 5845.80 6145.19 488.17 o -3 9 1 2286.54 2182.87 285.80 o -1 9 1 48996.18 49540.91 1116.74 o 1 9 1 104037.57 107709.42 1496.15 o 3 9 1 26282.05 25460.13 744.97 o 5 9 1 88191.71 89363.16 1372.04 o 7 9 1 11174.43 10863.95 1360.23 o 9 9 1 6.70 122.22 273.00 o 11 9 1 816.66 931.30 692.15 o 13 9 1 73.54 148.39 630.45 o -14 10 1 1042.81 719.56 595.78 o -12 10 1 3852.40 3774.41 1327.44 o -10 10 1 112647.63 119795.68 3013.77 o -8 10 1 2647.62 3204.11 474.28 o -6 10 1 3.77 14.17 196.02 o -4 10 1 43549.85 39751.61 997.92 o -2 10 1 39229.64 40293.82 1317.16 o 0 10 1 2603.49 2728.26 378.53 o 2 10 1 52677.27 43100.43 3800.83 o 4 10 1 2138.82 2472.16 330.88 o 6 10 1 59489.44 61836.43 1222.97 o 8 10 1 28527.77 30459.94 1119.85 o 10 10 1 5383.61 5920.97 1214.25 o 12 10 1 1389.23 1673.98 869.97 o 14 10 1 864.41 447.81 1039.56 o -13 11 1 4367.43 3842.78 857.68 o -11 11 1 85079.55 95815.67 4861.95 o -9 11 1 274.43 69.90 422.19 o -7 11 1 80918.05 88221.11 2642.31 o -5 11 1 134507.69 137555.61 2257.64 o -3 11 1 16948.29 16647.42 839.93 o -1 11 1 12591.03 11813.83 644.36 o 1 11 1 510.67 633.92 255.73 o 3 11 1 64819.67 65977.74 1330.15 o 5 11 1 3790.46 4190.72 428.10 o 7 11 1 2008.10 2211.51 430.43 o 9 11 1 6583.95 7830.69 705.91 o 11 11 1 16581.37 18562.03 1913.09 o 13 11 1 2690.12 3662.46 1607.32 o -12 12 1 5442.54 5716.89 955.17 o -10 12 1 63511.42 73752.91 2599.19 o -8 12 1 1050.25 1084.20 438.24 o -6 12 1 69.51 16.84 248.38 o -4 12 1 8750.36 8652.74 597.26 o -2 12 1 7201.14 6885.74 581.92 o 0 12 1 127.95 68.96 212.28 o 2 12 1 3691.68 3217.02 438.90 o 4 12 1 6442.13 6414.96 520.17 o 6 12 1 19648.73 19668.60 719.01 o 8 12 1 1394.93 2199.39 482.96 o 10 12 1 1217.96 1342.63 433.29 o 12 12 1 13.94 103.96 927.61 o -11 13 1 5076.34 4396.45 878.97 o -9 13 1 16276.79 17412.81 1464.57 o -7 13 1 15306.94 15736.67 1031.58 o -5 13 1 2877.00 2836.55 442.34 o -3 13 1 14204.54 12461.46 792.12 o -1 13 1 16841.00 15606.42 819.44 o 1 13 1 33185.56 32493.63 1132.40 o 3 13 1 2200.74 2351.91 394.32 o 5 13 1 35480.89 36375.72 990.64 o 7 13 1 5082.78 5449.59 692.41 o 9 13 1 6791.13 7254.46 764.62 o 11 13 1 2746.53 2726.85 1367.42 o -10 14 1 101.52 605.47 416.43 o -8 14 1 10918.58 11751.01 1267.66 o -6 14 1 2929.90 4061.17 677.20 o -4 14 1 27430.09 25872.54 1092.95 o -2 14 1 28186.47 28770.26 1157.08 o 0 14 1 568.44 249.14 324.70 o 2 14 1 6814.95 5779.98 599.74 o 4 14 1 124262.81 125624.17 1942.68 o 6 14 1 5471.56 6196.31 530.33 o 8 14 1 724.39 406.53 545.16 o 10 14 1 36134.02 40451.67 1742.15 o -9 15 1 7006.60 12266.84 2390.99 o -7 15 1 1113.32 1527.94 555.56 o -5 15 1 10211.49 9594.60 688.91 o -3 15 1 4236.75 4497.88 777.35 o -1 15 1 50300.97 49823.93 1871.53 o 1 15 1 55629.41 54556.76 1945.11 o 3 15 1 510.94 824.10 335.91 o 5 15 1 63020.21 61379.45 1669.43 o 7 15 1 4220.76 5419.22 788.65 o -6 16 1 302.27 322.89 508.53 o -4 16 1 973.77 1049.12 376.67 o -2 16 1 543.46 514.34 335.82 o 0 16 1 1043.92 796.52 374.26 o 2 16 1 1479.60 1720.36 421.81 o 4 16 1 32369.38 32391.62 1150.14 o 6 16 1 9264.96 9865.28 1000.17 o -3 17 1 8438.77 8533.90 736.98 o -1 17 1 440.16 428.63 355.14 o 1 17 1 4453.81 4533.85 603.41 o 3 17 1 15601.96 16358.50 942.13 o -16 0 2 6616.48 7501.32 1335.44 o -14 0 2 5579.23 5929.12 818.49 o -12 0 2 18775.89 17686.91 1127.53 o -10 0 2 295.00 443.20 322.12 o -8 0 2 140138.73 126622.38 4688.42 o -6 0 2 218.10 1707.46 941.51 o -4 0 2 82331.52 73946.78 3134.02 o -2 0 2 213256.61 196137.80 6379.11 o 0 0 2 351949.47 292654.34 8520.41 o 2 0 2 102818.72 96457.84 3134.68 o 4 0 2 2771.51 4199.70 635.73 o 6 0 2 423951.88 422909.03 3182.50 o 8 0 2 235533.27 226456.70 5541.67 o 10 0 2 2180.86 2574.92 919.61 o 12 0 2 11063.06 11051.35 1799.24 o 14 0 2 68073.58 71090.09 4286.20 o 16 0 2 3134.40 4246.40 870.94 o -17 1 2 16407.02 14701.84 1262.17 o -15 1 2 18309.64 17525.96 910.86 o -13 1 2 4655.65 5009.32 524.28 o -11 1 2 1067.63 1105.13 279.89 o -9 1 2 63.78 667.82 221.89 o -7 1 2 21148.80 21475.88 482.19 o -5 1 2 13242.95 13372.09 344.64 o -3 1 2 12371.47 11365.20 334.97 o -1 1 2 26283.60 28883.05 901.44 o 1 1 2 117282.95 117729.98 4806.02 o 3 1 2 131887.92 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