#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2200532.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_2200532_Fobs loop_ _publ_author_name 'Li, Zhengkai' 'Zhou, Zhongyuan' _publ_section_title ; trans-Tetrachlorobis(triphenylphosphine)osmium(IV) ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m291 _journal_page_last m292 _journal_volume 57 _journal_year 2001 _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 117.425 _cell_angle_gamma 90.000 _cell_length_a 9.3364 _cell_length_b 20.9477 _cell_length_c 9.6251 _exptl_crystal_F_000 840.00 _reflns_d_resolution_high 0.7684 _[local]_cod_data_source_file tk6024Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LZK1 in P2(1)/n OsCl4[P(C6H5)3]2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 235.86 _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 11460.12 12669.26 287.57 o 4 0 0 21721.09 21923.96 1001.10 o 6 0 0 7787.03 7701.17 572.53 o 8 0 0 3552.72 3767.85 222.35 o 10 0 0 876.21 990.35 179.69 o 1 1 0 40282.96 44194.79 231.70 o 2 1 0 12763.93 13568.00 101.46 o 3 1 0 11993.10 12456.88 85.98 o 4 1 0 1029.21 1113.58 36.21 o 5 1 0 17934.14 19130.42 165.43 o 6 1 0 31.20 31.42 17.78 o 7 1 0 5407.18 5457.43 169.72 o 8 1 0 86.89 95.43 51.05 o 9 1 0 1811.68 2134.98 135.88 o 10 1 0 120.21 159.49 72.36 o 0 2 0 46236.17 40055.47 3135.65 o 1 2 0 6054.67 6946.25 176.71 o 2 2 0 8931.73 9376.38 242.53 o 3 2 0 2587.68 2925.91 51.36 o 4 2 0 22924.10 23281.61 409.21 o 5 2 0 1882.29 1930.93 51.83 o 6 2 0 6444.15 6193.69 310.17 o 7 2 0 117.33 150.79 47.70 o 8 2 0 4757.46 5132.89 414.53 o 9 2 0 22.02 -16.36 48.29 o 10 2 0 906.42 1047.05 123.55 o 1 3 0 12536.29 14331.32 341.11 o 2 3 0 2433.34 2357.63 46.35 o 3 3 0 31440.28 34186.72 383.13 o 4 3 0 997.94 992.06 36.02 o 5 3 0 15283.61 15379.72 250.97 o 6 3 0 84.47 59.54 20.68 o 7 3 0 4804.94 4480.56 206.74 o 8 3 0 1196.82 1319.75 102.99 o 9 3 0 2424.15 2743.20 212.12 o 10 3 0 229.19 295.93 85.68 o 0 4 0 5129.56 5681.11 159.81 o 1 4 0 845.21 946.79 28.43 o 2 4 0 36339.93 38889.00 827.36 o 3 4 0 759.35 828.24 40.20 o 4 4 0 25535.78 26131.84 323.67 o 5 4 0 300.11 327.50 28.68 o 6 4 0 3079.41 3217.45 65.45 o 7 4 0 1594.19 1626.62 160.26 o 8 4 0 3300.51 3529.09 328.50 o 9 4 0 12.22 3.19 48.19 o 10 4 0 1312.43 1493.96 136.46 o 1 5 0 55628.61 56251.50 317.33 o 2 5 0 1234.54 1404.89 42.35 o 3 5 0 35763.53 38833.00 429.47 o 4 5 0 54.13 31.44 17.19 o 5 5 0 4719.85 4626.20 87.22 o 6 5 0 415.41 538.36 35.55 o 7 5 0 3746.67 3708.76 146.56 o 8 5 0 288.84 260.01 62.36 o 9 5 0 4044.61 4295.28 185.95 o 10 5 0 0.29 76.25 63.85 o 0 6 0 222.59 266.16 18.86 o 1 6 0 3941.19 4397.98 92.52 o 2 6 0 54171.24 58085.11 530.62 o 3 6 0 758.19 848.02 41.42 o 4 6 0 7784.75 8036.77 333.06 o 5 6 0 169.32 182.25 25.53 o 6 6 0 4946.82 5187.22 95.98 o 7 6 0 44.65 15.44 37.46 o 8 6 0 3697.49 3875.47 184.54 o 9 6 0 11.76 42.49 53.53 o 10 6 0 1726.64 1868.56 149.10 o 1 7 0 38254.34 39576.82 1076.99 o 2 7 0 29.01 32.53 13.25 o 3 7 0 14006.65 14008.71 261.76 o 4 7 0 6803.83 7098.97 115.15 o 5 7 0 4288.61 4503.97 121.35 o 6 7 0 92.87 112.02 26.64 o 7 7 0 5136.86 5330.22 166.68 o 8 7 0 108.68 114.11 52.30 o 9 7 0 1378.81 1591.70 136.33 o 10 7 0 174.36 127.44 76.83 o 0 8 0 2988.16 2998.84 53.08 o 1 8 0 510.80 574.77 22.35 o 2 8 0 21547.02 21317.59 279.58 o 3 8 0 2602.52 2771.94 63.44 o 4 8 0 5039.51 4736.88 125.30 o 5 8 0 569.31 625.97 40.60 o 6 8 0 14055.37 14413.28 342.19 o 7 8 0 149.32 146.55 48.71 o 8 8 0 1380.49 1398.56 102.14 o 9 8 0 12.60 -5.75 50.03 o 10 8 0 1169.27 1222.64 175.35 o 1 9 0 9717.43 9228.50 367.39 o 2 9 0 193.11 184.92 22.42 o 3 9 0 7174.30 6753.98 135.13 o 4 9 0 705.96 690.64 41.06 o 5 9 0 7607.07 7892.02 141.97 o 6 9 0 2.19 18.76 22.42 o 7 9 0 3797.15 3926.01 155.92 o 8 9 0 17.16 9.98 40.21 o 9 9 0 417.43 548.73 152.46 o 10 9 0 270.45 244.90 119.67 o 0 10 0 23363.44 24417.34 634.35 o 1 10 0 0.09 3.52 8.70 o 2 10 0 13385.90 12754.29 396.79 o 3 10 0 554.63 701.31 39.21 o 4 10 0 3869.78 4193.44 88.60 o 5 10 0 324.17 352.82 37.79 o 6 10 0 11374.07 11269.74 299.28 o 7 10 0 383.72 415.98 65.24 o 8 10 0 887.36 944.34 91.95 o 9 10 0 132.33 138.06 102.68 o 10 10 0 1220.34 1409.73 226.17 o 1 11 0 12575.28 12327.91 154.40 o 2 11 0 976.23 899.51 41.51 o 3 11 0 6249.45 6136.99 101.66 o 4 11 0 9.36 6.92 17.68 o 5 11 0 5508.70 5714.70 112.39 o 6 11 0 872.38 820.60 48.44 o 7 11 0 3181.54 3404.48 114.78 o 8 11 0 315.25 249.19 67.76 o 9 11 0 657.09 771.97 111.80 o 0 12 0 18669.90 18507.83 515.62 o 1 12 0 3166.77 3056.13 84.33 o 2 12 0 8786.52 8267.11 153.56 o 3 12 0 62.40 64.42 21.35 o 4 12 0 3207.98 3536.39 87.38 o 5 12 0 357.87 380.99 41.46 o 6 12 0 3465.43 3563.16 83.45 o 7 12 0 94.81 110.49 58.25 o 8 12 0 1607.21 1516.93 117.62 o 9 12 0 102.94 97.95 66.05 o 1 13 0 5571.39 5135.70 146.45 o 2 13 0 1306.03 1249.09 60.93 o 3 13 0 6531.22 6509.91 218.75 o 4 13 0 175.41 185.55 31.37 o 5 13 0 4556.20 4292.27 102.88 o 6 13 0 325.68 364.94 43.71 o 7 13 0 2097.30 2086.76 294.33 o 8 13 0 42.42 86.36 60.92 o 9 13 0 1656.14 1605.08 133.43 o 0 14 0 5277.14 5449.51 107.63 o 1 14 0 2116.48 1991.72 79.93 o 2 14 0 3039.52 3029.22 76.07 o 3 14 0 61.60 77.30 24.99 o 4 14 0 6308.55 6438.59 121.48 o 5 14 0 246.64 292.46 39.64 o 6 14 0 868.25 895.05 76.17 o 7 14 0 34.28 27.95 49.89 o 8 14 0 1514.98 1635.42 124.36 o 9 14 0 175.88 160.31 118.11 o 1 15 0 2359.06 2497.94 78.71 o 2 15 0 118.76 124.58 27.38 o 3 15 0 5499.54 5373.55 125.72 o 4 15 0 7.55 -19.23 20.87 o 5 15 0 3317.22 3218.24 93.24 o 6 15 0 765.22 731.03 80.65 o 7 15 0 1532.68 1476.59 111.28 o 8 15 0 74.35 66.34 65.32 o 9 15 0 1773.38 1911.46 147.14 o 0 16 0 2083.99 2209.99 160.26 o 1 16 0 41.93 46.50 25.35 o 2 16 0 3537.46 3578.06 86.49 o 3 16 0 21.15 14.25 22.40 o 4 16 0 5488.31 5016.06 113.21 o 5 16 0 717.02 761.89 58.83 o 6 16 0 363.12 365.97 57.49 o 7 16 0 0.02 -18.00 41.76 o 8 16 0 1870.09 2026.89 141.57 o 1 17 0 5333.17 5362.78 249.58 o 2 17 0 304.41 294.43 42.66 o 3 17 0 3071.01 3025.10 87.21 o 4 17 0 521.77 526.46 49.56 o 5 17 0 1742.86 1782.11 84.06 o 6 17 0 14.56 6.50 36.95 o 7 17 0 930.05 843.97 158.53 o 8 17 0 0.02 -5.20 94.01 o 0 18 0 5612.86 5221.98 246.63 o 1 18 0 176.02 246.64 41.95 o 2 18 0 1667.54 1631.86 76.57 o 3 18 0 106.72 146.50 36.25 o 4 18 0 3153.74 2949.20 92.31 o 5 18 0 176.70 209.33 40.51 o 6 18 0 1068.99 1150.79 178.64 o 7 18 0 1.58 -20.12 71.46 o 8 18 0 1237.88 1328.91 210.21 o 1 19 0 1777.34 1879.72 82.63 o 2 19 0 2.92 2.11 26.14 o 3 19 0 842.96 861.60 88.78 o 4 19 0 380.57 448.56 99.04 o 5 19 0 1582.58 1766.75 122.11 o 6 19 0 27.90 -41.84 52.21 o 7 19 0 961.57 839.46 167.20 o 0 20 0 2084.57 2097.60 174.14 o 1 20 0 248.83 190.22 57.14 o 2 20 0 809.79 834.16 91.61 o 3 20 0 159.37 220.14 62.37 o 4 20 0 1430.40 1462.59 113.17 o 5 20 0 0.13 -2.02 45.00 o 6 20 0 1752.31 1644.57 198.42 o 1 21 0 2008.74 2219.98 161.30 o 2 21 0 1.76 -31.66 39.81 o 3 21 0 944.43 1034.58 106.01 o 4 21 0 64.77 71.14 54.84 o 5 21 0 1495.65 1524.59 130.20 o 6 21 0 13.98 46.14 93.31 o 0 22 0 2545.42 2598.16 203.62 o 1 22 0 44.10 85.23 55.41 o 2 22 0 1143.30 1061.93 109.57 o 3 22 0 101.08 88.12 56.75 o 4 22 0 805.24 1099.17 129.39 o 5 22 0 138.52 193.88 68.97 o 6 22 0 1194.17 915.77 180.03 o 1 23 0 1097.96 1273.09 118.06 o 2 23 0 45.71 41.82 50.62 o 3 23 0 1240.88 1253.75 118.29 o 4 23 0 55.89 97.62 64.90 o 5 23 0 661.74 723.33 104.85 o 0 24 0 530.78 416.61 120.37 o 1 24 0 5.22 -8.64 51.07 o 2 24 0 1329.90 1487.92 129.66 o 3 24 0 67.24 111.40 84.64 o 4 24 0 473.32 536.72 165.29 o 5 24 0 94.38 120.88 71.44 o 1 25 0 595.97 794.65 106.82 o 2 25 0 36.88 21.03 70.59 o 3 25 0 1201.08 1335.50 135.23 o 4 25 0 3.42 -12.85 62.64 o 0 26 0 87.78 46.83 83.25 o 1 26 0 3.05 -27.58 54.57 o 2 26 0 1060.97 1174.73 130.89 o 3 26 0 6.01 -14.09 60.05 o 1 27 0 415.67 467.18 100.52 o -11 0 1 1766.40 2015.74 224.78 o -9 0 1 3297.98 3852.49 240.04 o -7 0 1 4021.00 4407.15 210.21 o -5 0 1 23771.75 23747.88 239.35 o -3 0 1 5024.94 5596.37 72.59 o 1 0 1 37247.67 38406.57 358.33 o 3 0 1 3734.24 3462.24 116.90 o 5 0 1 6938.50 6830.51 467.43 o 7 0 1 3078.63 3271.80 189.05 o 9 0 1 429.77 579.30 133.90 o -11 1 1 3.56 -4.80 62.99 o -10 1 1 1830.11 1933.20 138.68 o -9 1 1 2.35 11.85 51.01 o -8 1 1 8154.27 8747.05 239.18 o -7 1 1 110.61 149.86 47.56 o -6 1 1 17017.52 17945.47 142.81 o -5 1 1 2060.34 2258.16 45.59 o -4 1 1 16757.39 18567.47 355.29 o -3 1 1 1146.75 1237.15 24.79 o -2 1 1 9132.88 10472.41 328.50 o -1 1 1 785.82 957.16 22.02 o 0 1 1 43298.29 47142.27 576.79 o 1 1 1 938.26 1007.55 57.02 o 2 1 1 9031.80 10230.73 105.95 o 3 1 1 542.98 693.02 82.91 o 4 1 1 13874.78 13751.29 232.99 o 5 1 1 232.95 249.30 27.67 o 6 1 1 3812.09 4088.88 106.14 o 7 1 1 232.39 276.65 56.54 o 8 1 1 2710.31 2865.68 143.27 o 9 1 1 83.19 100.56 62.16 o 10 1 1 348.07 477.65 103.21 o -11 2 1 1276.46 1375.98 148.64 o -10 2 1 425.74 317.21 82.23 o -9 2 1 3907.56 4424.21 312.19 o -8 2 1 454.66 527.54 77.39 o -7 2 1 4992.66 5361.99 172.57 o -6 2 1 1603.78 1701.87 47.59 o -5 2 1 18611.27 19962.32 482.80 o -4 2 1 32.99 35.41 10.84 o -3 2 1 24585.53 27611.30 433.86 o -2 2 1 4804.69 5404.86 134.85 o -1 2 1 19603.13 20539.91 523.77 o 0 2 1 247.39 239.19 15.41 o 1 2 1 19960.45 20907.01 248.02 o 2 2 1 3713.02 4075.11 121.41 o 3 2 1 2768.52 2809.84 62.75 o 4 2 1 1528.23 1678.83 49.32 o 5 2 1 3409.65 3236.41 86.02 o 6 2 1 134.49 130.17 26.46 o 7 2 1 2909.99 3095.22 134.41 o 8 2 1 256.10 264.42 67.89 o 9 2 1 818.83 956.81 113.90 o 10 2 1 23.57 83.13 73.52 o -11 3 1 36.92 58.43 70.02 o -10 3 1 1894.25 2336.95 211.25 o -9 3 1 5.24 -18.29 49.26 o -8 3 1 5745.08 6219.59 214.03 o -7 3 1 279.91 299.17 57.50 o -6 3 1 9622.57 9916.03 197.76 o -5 3 1 754.71 776.11 32.99 o -4 3 1 25733.27 28497.32 367.80 o -3 3 1 1.95 3.05 8.06 o -2 3 1 27563.23 29076.78 404.22 o -1 3 1 8772.26 9507.20 238.08 o 0 3 1 16101.15 17487.49 435.43 o 1 3 1 4271.12 4733.90 172.57 o 2 3 1 2583.49 2576.89 156.44 o 3 3 1 7205.02 8141.59 343.50 o 4 3 1 6058.20 5919.99 122.47 o 5 3 1 2313.04 2415.33 67.25 o 6 3 1 1403.20 1493.54 58.02 o 7 3 1 1566.70 1741.68 105.33 o 8 3 1 2085.88 2317.60 341.33 o 9 3 1 214.26 257.50 83.95 o 10 3 1 732.85 878.38 204.14 o -11 4 1 910.42 1265.11 148.87 o -10 4 1 425.50 442.72 127.48 o -9 4 1 5254.84 5648.18 200.35 o -8 4 1 1839.14 1734.36 111.64 o -7 4 1 7831.53 7623.93 495.35 o -6 4 1 604.68 608.22 31.10 o -5 4 1 12585.50 13355.05 477.45 o -4 4 1 1823.94 2018.36 68.44 o -3 4 1 20191.48 21458.01 490.32 o -2 4 1 7247.83 7622.65 106.04 o -1 4 1 43013.08 45182.44 1445.01 o 0 4 1 2650.03 2957.60 66.54 o 1 4 1 4566.10 4902.11 279.61 o 2 4 1 9759.83 10370.81 207.52 o 3 4 1 20356.64 21314.22 283.15 o 4 4 1 1308.14 1300.70 58.27 o 5 4 1 3806.55 3859.88 79.38 o 6 4 1 209.56 225.39 31.25 o 7 4 1 1495.48 1504.50 100.77 o 8 4 1 42.15 -14.56 60.88 o 9 4 1 2124.82 2558.17 152.93 o 10 4 1 38.41 26.23 65.09 o -11 5 1 5.29 -1.18 68.05 o -10 5 1 3556.63 3830.86 302.14 o -9 5 1 3.20 11.65 49.73 o -8 5 1 3908.21 4048.84 154.39 o -7 5 1 110.30 198.60 51.35 o -6 5 1 2870.84 3075.15 66.43 o -5 5 1 938.27 1064.20 49.17 o -4 5 1 16332.46 16811.02 337.46 o -3 5 1 114.27 154.23 15.07 o -2 5 1 15933.70 17355.19 294.77 o -1 5 1 2981.10 3278.38 75.20 o 0 5 1 10313.09 11065.92 164.36 o 1 5 1 871.15 929.62 64.59 o 2 5 1 18051.37 18374.40 177.75 o 3 5 1 1987.33 2054.03 59.29 o 4 5 1 9639.51 9080.70 261.71 o 5 5 1 103.83 124.12 26.69 o 6 5 1 2274.46 2388.71 64.31 o 7 5 1 591.44 687.01 83.78 o 8 5 1 2547.35 2728.33 137.98 o 9 5 1 285.31 307.74 81.69 o 10 5 1 1087.84 993.82 125.33 o -10 6 1 0.40 13.18 53.92 o -9 6 1 5046.75 5368.37 263.98 o -8 6 1 1.09 41.68 43.36 o -7 6 1 9894.29 9551.69 1045.51 o -6 6 1 644.93 605.07 38.00 o -5 6 1 7376.59 7537.96 96.47 o -4 6 1 101.46 122.08 17.67 o -3 6 1 24412.52 25739.31 417.91 o -2 6 1 4855.12 5375.87 75.26 o -1 6 1 9940.12 10935.38 166.88 o 0 6 1 181.90 234.44 18.80 o 1 6 1 9679.89 9859.23 150.91 o 2 6 1 270.45 249.05 25.57 o 3 6 1 24419.54 23237.42 556.54 o 4 6 1 33.71 31.42 19.09 o 5 6 1 3409.68 3629.22 95.03 o 6 6 1 70.52 70.49 22.96 o 7 6 1 2612.38 2573.46 124.24 o 8 6 1 108.55 116.20 57.24 o 9 6 1 2268.07 2563.03 151.47 o 10 6 1 34.57 4.41 64.10 o -10 7 1 2303.84 2420.22 150.98 o -9 7 1 34.33 17.70 50.55 o -8 7 1 3151.39 3348.12 190.44 o -7 7 1 1092.10 1263.41 89.98 o -6 7 1 6663.68 6922.37 218.29 o -5 7 1 198.56 210.61 24.48 o -4 7 1 15589.76 15707.61 389.55 o -3 7 1 6.07 2.24 9.60 o -2 7 1 32908.88 35593.99 355.38 o -1 7 1 11676.27 12718.56 220.60 o 0 7 1 9938.89 10309.29 156.37 o 1 7 1 71.65 89.90 11.85 o 2 7 1 16215.80 16376.88 483.11 o 3 7 1 874.09 876.08 45.44 o 4 7 1 1937.84 1842.72 65.61 o 5 7 1 887.76 844.94 53.55 o 6 7 1 3570.74 3622.13 79.88 o 7 7 1 16.58 -24.30 37.71 o 8 7 1 984.76 1140.72 104.77 o 9 7 1 0.22 -2.19 48.26 o -10 8 1 161.70 133.05 69.32 o -9 8 1 959.03 1207.49 134.07 o -8 8 1 215.43 253.48 63.32 o -7 8 1 7119.33 7567.57 220.44 o -6 8 1 58.31 55.71 21.16 o -5 8 1 7458.02 7245.17 93.69 o -4 8 1 12.75 -1.43 11.43 o -3 8 1 14296.33 14016.86 299.78 o -2 8 1 2513.19 2605.38 76.30 o -1 8 1 5497.85 5495.20 78.06 o 0 8 1 1.64 6.92 8.11 o 1 8 1 13131.51 13802.31 485.69 o 2 8 1 143.94 192.55 22.45 o 3 8 1 5641.03 5531.85 155.49 o 4 8 1 2678.92 2583.90 95.49 o 5 8 1 4289.46 4391.18 107.67 o 6 8 1 52.27 82.25 32.47 o 7 8 1 2766.55 2870.61 129.99 o 8 8 1 186.88 262.79 75.45 o 9 8 1 1111.00 1272.53 118.76 o -10 9 1 1239.35 1413.20 210.91 o -9 9 1 26.58 -4.06 45.85 o -8 9 1 1769.21 1805.19 120.20 o -7 9 1 19.36 27.09 36.92 o -6 9 1 9996.17 9904.65 163.03 o -5 9 1 150.62 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