#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/65/2216572.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_2216572_Fobs loop_ _publ_author_name 'Yousefi, Mohammad' 'Ahmadi, Roya' 'Amani, Vahid' 'Khavasi, Hamid Reza' _publ_section_title ; Bis(2,9-dimethyl-1,10-phenanthrolinium) hexachloridoplatinate(IV) ; _journal_coeditor_code HK2386 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m3114 _journal_page_last m3115 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.427 _cell_angle_beta 66.464 _cell_angle_gamma 79.540 _cell_length_a 8.9617 _cell_length_b 9.2179 _cell_length_c 9.9930 _exptl_crystal_F_000 2340.00 _reflns_d_resolution_high 0.7296 _[local]_cod_data_source_file hk2386Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' W7' _shelx_refln_list_code 4 _shelx_f_calc_maximum 91.84 _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' 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 0 579.52 405.73 4.49 o 3 0 0 3591.36 3164.84 121.45 o 4 0 0 5647.82 5093.99 425.73 o 5 0 0 3382.65 2833.46 106.54 o 6 0 0 1777.07 1463.35 228.04 o 7 0 0 2746.72 2242.69 382.72 o 8 0 0 2423.96 2317.86 37.04 o 9 0 0 445.19 382.04 38.41 o 10 0 0 72.40 65.31 1.74 o 11 0 0 286.95 263.29 17.50 o -11 1 0 323.28 326.82 38.17 o -10 1 0 459.00 425.50 15.95 o -9 1 0 1848.19 1799.00 110.10 o -8 1 0 2525.04 2845.08 385.37 o -7 1 0 2615.11 2488.22 70.18 o -6 1 0 1578.01 1371.65 44.31 o -5 1 0 2801.59 2354.14 74.83 o -2 1 0 4926.75 3116.42 17.12 o 0 1 0 1740.11 2439.17 48.78 o 3 1 0 148.87 125.71 2.74 o 4 1 0 2263.59 2142.18 6.12 o 5 1 0 1149.47 819.58 42.81 o 6 1 0 738.64 615.02 53.15 o 7 1 0 1092.52 1003.51 87.39 o 8 1 0 1077.19 962.50 82.23 o 9 1 0 606.00 580.80 6.77 o 10 1 0 101.63 89.37 1.77 o 11 1 0 57.83 63.72 7.83 o -10 2 0 530.74 471.84 4.38 o -9 2 0 325.68 278.53 34.02 o -8 2 0 2382.74 2346.69 5.62 o -7 2 0 2836.05 2583.36 7.58 o -6 2 0 586.40 589.36 91.02 o -5 2 0 293.22 231.89 20.62 o -4 2 0 731.06 740.95 168.24 o -2 2 0 3309.92 3836.72 95.42 o -1 2 0 2688.24 2756.71 76.46 o 0 2 0 3820.57 4790.49 15.57 o 2 2 0 57.90 74.75 3.50 o 3 2 0 147.22 149.80 22.41 o 4 2 0 717.62 690.24 35.59 o 5 2 0 3255.30 2847.38 78.94 o 6 2 0 2523.17 2471.92 18.65 o 7 2 0 735.29 622.75 49.94 o 8 2 0 1270.13 1284.44 26.13 o 9 2 0 776.46 722.87 21.25 o 10 2 0 349.59 351.64 5.25 o 11 2 0 195.94 191.11 2.18 o -10 3 0 315.55 342.65 40.68 o -9 3 0 275.73 260.37 5.98 o -8 3 0 563.39 533.97 32.32 o -7 3 0 1133.74 1158.65 125.29 o -6 3 0 1147.75 1074.04 120.42 o -5 3 0 56.33 70.36 9.59 o -4 3 0 489.52 514.31 55.45 o -2 3 0 4163.87 4477.38 10.50 o -1 3 0 3678.14 4036.64 59.69 o 0 3 0 5039.69 6030.82 183.61 o 1 3 0 4231.67 4488.17 144.81 o 2 3 0 1341.96 1388.87 18.26 o 3 3 0 1869.24 1791.58 43.77 o 4 3 0 3013.11 3172.58 127.96 o 5 3 0 6787.18 6425.35 9.14 o 6 3 0 3907.48 3768.18 9.69 o 7 3 0 1639.08 1531.17 4.33 o 8 3 0 1114.22 1079.67 28.59 o 9 3 0 1427.04 1455.08 60.44 o 10 3 0 728.73 722.14 20.17 o 11 3 0 266.37 268.94 13.11 o -10 4 0 439.65 436.22 18.88 o -9 4 0 508.16 510.98 46.55 o -8 4 0 508.11 540.20 26.49 o -7 4 0 1217.80 1258.51 97.66 o -6 4 0 1273.89 1277.04 100.00 o -5 4 0 824.30 886.53 96.17 o -4 4 0 1647.28 1803.22 94.41 o -3 4 0 4359.39 4951.79 9.87 o 0 4 0 3630.07 3897.84 19.45 o 3 4 0 1316.86 1274.85 32.09 o 4 4 0 3925.14 4105.59 27.95 o 5 4 0 6818.69 6956.28 124.54 o 6 4 0 3675.38 3441.33 175.26 o 7 4 0 1585.02 1448.15 15.01 o 8 4 0 517.87 521.01 2.68 o 9 4 0 638.91 627.43 22.82 o 10 4 0 523.64 547.83 26.00 o -9 5 0 883.75 925.09 62.11 o -8 5 0 473.75 498.45 45.32 o -7 5 0 1127.66 1103.23 74.29 o -6 5 0 1967.56 2078.08 249.40 o -5 5 0 3100.27 3027.15 888.64 o -4 5 0 1413.35 1747.58 257.01 o -3 5 0 3863.66 4436.99 8.94 o -1 5 0 3708.88 3848.42 68.34 o 0 5 0 1322.61 1250.84 25.02 o 1 5 0 3188.88 3555.84 88.45 o 2 5 0 4668.36 4946.49 107.94 o 3 5 0 1547.10 1526.96 82.73 o 4 5 0 431.99 341.93 9.85 o 5 5 0 1541.85 1461.77 48.63 o 6 5 0 4056.06 3964.31 69.40 o 7 5 0 529.81 476.23 8.96 o 8 5 0 32.88 42.96 1.89 o 9 5 0 217.51 210.69 14.25 o 10 5 0 298.91 332.27 2.60 o -9 6 0 756.66 806.59 65.42 o -8 6 0 568.23 576.54 43.17 o -7 6 0 743.95 719.56 104.66 o -6 6 0 1088.89 1149.02 114.95 o -5 6 0 126.55 153.55 34.60 o -4 6 0 708.98 680.59 136.58 o -3 6 0 6634.28 6676.57 957.24 o -2 6 0 3076.15 3296.91 111.62 o -1 6 0 840.92 851.65 19.85 o 0 6 0 135.10 114.98 12.73 o 1 6 0 169.46 198.00 4.37 o 2 6 0 1007.76 941.51 20.22 o 3 6 0 1573.94 1452.58 8.80 o 4 6 0 1857.25 1843.47 65.44 o 5 6 0 1450.36 1420.54 6.70 o 6 6 0 594.56 524.94 16.62 o 7 6 0 460.09 424.83 11.65 o 8 6 0 306.86 314.22 2.01 o 9 6 0 153.70 143.47 9.02 o 10 6 0 569.19 603.20 41.16 o -8 7 0 186.84 194.29 9.82 o -7 7 0 57.96 63.70 2.88 o -6 7 0 379.97 432.64 42.93 o -5 7 0 1755.21 1766.59 168.72 o -4 7 0 926.01 879.45 5.50 o -3 7 0 51.29 55.90 3.50 o -2 7 0 1931.65 1948.11 44.75 o -1 7 0 3856.72 3998.28 128.28 o 0 7 0 378.32 358.78 8.88 o 1 7 0 319.03 325.47 4.62 o 2 7 0 908.58 918.16 25.29 o 3 7 0 3365.32 3432.69 112.21 o 4 7 0 2293.86 2240.54 57.01 o 5 7 0 1208.33 1169.33 45.14 o 6 7 0 1883.48 1830.70 63.21 o 7 7 0 1568.81 1547.61 13.28 o 8 7 0 445.83 456.39 6.99 o 9 7 0 340.69 352.02 10.61 o -7 8 0 60.15 62.74 3.07 o -6 8 0 515.29 527.63 23.48 o -5 8 0 1342.89 1320.94 118.28 o -4 8 0 1659.35 1596.90 137.82 o -3 8 0 1845.74 1733.34 87.64 o -2 8 0 1523.91 1652.61 109.93 o -1 8 0 1739.11 1761.53 48.91 o 0 8 0 2403.75 2462.01 114.69 o 1 8 0 578.85 595.71 26.48 o 2 8 0 2274.62 2295.60 72.67 o 3 8 0 5328.89 5657.14 176.72 o 4 8 0 2795.19 2876.89 137.65 o 5 8 0 1509.29 1237.75 228.60 o 6 8 0 1009.78 983.68 45.49 o 7 8 0 1090.83 1020.62 35.22 o 8 8 0 561.26 521.14 16.50 o 9 8 0 301.36 296.45 16.95 o -6 9 0 493.84 507.49 17.90 o -5 9 0 1640.78 1503.31 205.85 o -4 9 0 2635.01 2516.20 225.56 o -3 9 0 1549.97 1419.20 58.09 o -2 9 0 1054.30 1110.04 35.17 o -1 9 0 1584.63 1572.48 76.39 o 0 9 0 1333.86 1319.49 44.50 o 1 9 0 1078.22 1071.52 53.84 o 2 9 0 1679.43 1673.93 80.32 o 3 9 0 2056.12 2067.57 26.60 o 4 9 0 2055.39 2126.79 94.08 o 5 9 0 414.60 437.40 13.82 o 6 9 0 201.49 218.66 12.81 o 7 9 0 391.04 370.01 18.05 o 8 9 0 342.83 340.81 12.23 o -5 10 0 1057.76 1059.67 48.20 o -4 10 0 1377.13 1314.87 70.28 o -3 10 0 673.90 628.78 18.60 o -2 10 0 307.84 287.42 11.00 o -1 10 0 479.33 466.51 8.36 o 0 10 0 467.52 484.26 26.71 o 1 10 0 429.45 396.81 15.98 o 2 10 0 447.97 461.73 25.53 o 3 10 0 924.86 977.49 75.85 o 4 10 0 963.29 1032.57 33.44 o 5 10 0 237.92 227.61 8.61 o 6 10 0 80.36 80.94 4.79 o 7 10 0 137.08 149.27 7.81 o -4 11 0 433.96 392.10 3.13 o -3 11 0 314.09 278.14 11.11 o -2 11 0 96.47 98.39 9.89 o -1 11 0 261.05 259.50 11.09 o 0 11 0 591.98 588.67 15.07 o 1 11 0 395.27 358.98 18.98 o 2 11 0 419.61 414.37 23.86 o 3 11 0 1064.83 1098.46 63.03 o 4 11 0 772.96 772.51 40.34 o 5 11 0 444.65 446.96 53.32 o 6 11 0 189.20 177.19 9.44 o -1 12 0 127.56 112.31 6.20 o 0 12 0 743.65 781.36 39.78 o 1 12 0 2121.18 2080.11 188.83 o 2 12 0 1249.35 1256.93 108.44 o 3 12 0 356.55 321.91 29.72 o -2 -12 1 607.88 551.59 43.04 o -1 -12 1 887.82 850.40 86.67 o 0 -12 1 912.47 832.92 69.38 o -5 -11 1 470.59 454.82 32.91 o -4 -11 1 285.77 271.67 10.47 o -3 -11 1 198.12 197.95 25.77 o -2 -11 1 414.79 421.93 54.48 o -1 -11 1 913.97 917.94 101.73 o 0 -11 1 950.68 1028.19 97.58 o 1 -11 1 309.50 346.73 30.46 o 2 -11 1 39.64 37.67 2.59 o 3 -11 1 180.91 157.04 5.07 o -6 -10 1 92.95 105.73 7.25 o -5 -10 1 174.08 179.03 7.32 o -4 -10 1 338.66 360.34 26.35 o -3 -10 1 338.99 337.70 19.00 o -2 -10 1 288.90 293.16 17.82 o -1 -10 1 1205.19 1236.25 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189.09 5.88 o 10 -3 1 577.22 544.64 8.18 o -10 -2 1 465.74 519.24 4.09 o -9 -2 1 455.33 447.80 12.28 o -8 -2 1 604.58 582.79 25.49 o -7 -2 1 318.71 309.80 23.88 o -6 -2 1 1294.08 1143.69 53.20 o -5 -2 1 4076.25 3708.80 30.43 o -4 -2 1 634.94 468.18 14.70 o -3 -2 1 952.06 758.96 8.24 o -2 -2 1 1227.43 1013.60 26.67 o -1 -2 1 1671.44 1628.99 71.38 o 0 -2 1 1944.08 1818.26 44.06 o 1 -2 1 1015.76 1069.09 27.22 o 2 -2 1 1298.89 1093.69 223.29 o 4 -2 1 3174.10 2012.21 446.48 o 5 -2 1 1643.56 1733.93 194.12 o 6 -2 1 1217.54 1120.40 67.84 o 7 -2 1 693.22 663.54 30.95 o 8 -2 1 1505.53 1284.68 46.93 o 9 -2 1 792.73 915.13 161.22 o 10 -2 1 872.10 852.07 39.27 o 11 -2 1 927.67 902.38 88.79 o -10 -1 1 99.61 119.51 15.76 o -9 -1 1 349.50 343.78 6.48 o -8 -1 1 433.17 454.77 29.36 o -7 -1 1 147.25 127.47 26.08 o -6 -1 1 551.22 403.08 47.60 o -5 -1 1 3274.34 2761.82 136.22 o -3 -1 1 1153.86 872.29 24.75 o -1 -1 1 6958.99 7734.04 24.58 o 5 -1 1 849.09 667.34 74.86 o 6 -1 1 754.64 705.65 28.35 o 7 -1 1 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355.09 104.31 o 3 2 12 802.95 839.29 11.79 o 4 2 12 1020.27 844.81 4.67 o 5 2 12 1330.06 1445.04 5.75 o 6 2 12 1440.43 1661.64 6.15 o 7 2 12 2027.13 2029.76 7.21 o 8 2 12 1498.70 1562.25 60.55 o 9 2 12 679.06 673.03 3.75 o 0 3 12 1358.13 1404.33 110.09 o 1 3 12 719.27 755.32 57.86 o 2 3 12 448.04 445.58 15.86 o 3 3 12 458.05 529.54 11.11 o 4 3 12 1505.57 1533.19 5.69 o 5 3 12 1484.90 1400.01 5.42 o 6 3 12 965.39 958.94 4.45 o 7 3 12 1119.33 1064.87 36.26 o 8 3 12 851.10 783.27 9.60 o 9 3 12 717.02 666.85 21.75 o 0 4 12 642.43 687.21 58.25 o 1 4 12 380.34 355.26 46.77 o 2 4 12 159.95 162.00 2.19 o 3 4 12 337.62 374.70 3.50 o 4 4 12 814.41 929.10 4.48 o 5 4 12 872.69 910.90 4.15 o 6 4 12 660.74 886.51 4.45 o 7 4 12 425.56 409.31 3.78 o 8 4 12 674.41 706.83 93.77 o 9 4 12 205.24 190.90 7.38 o 0 5 12 311.45 316.84 19.43 o 1 5 12 331.75 265.71 106.30 o 2 5 12 167.55 176.84 3.03 o 3 5 12 112.47 121.07 2.94 o 4 5 12 612.88 599.10 3.87 o 5 5 12 1318.59 1585.69 5.47 o 6 5 12 1124.30 1109.04 4.54 o 7 5 12 640.26 630.30 16.71 o 8 5 12 573.86 534.08 39.26 o 9 5 12 742.67 666.50 37.87 o 1 6 12 269.12 242.23 3.31 o 2 6 12 506.54 451.68 3.20 o 3 6 12 1174.73 1349.50 5.15 o 4 6 12 1096.26 821.96 4.39 o 5 6 12 1691.22 1609.28 5.55 o 6 6 12 1623.45 1545.57 5.32 o 7 6 12 556.12 552.53 18.39 o 8 6 12 446.94 428.45 5.01 o 2 7 12 955.58 876.73 4.73 o 3 7 12 379.08 399.12 3.50 o 4 7 12 986.80 957.17 4.60 o 5 7 12 2343.72 2297.44 6.49 o 6 7 12 1279.05 1185.78 3.44 o 7 7 12 451.34 426.63 73.38 o 4 8 12 551.26 456.59 3.88 o 5 8 12 346.36 305.24 4.06 o 6 8 12 560.36 555.45 2.85 o 3 -1 13 1113.88 1034.40 151.13 o 4 -1 13 236.40 191.25 8.04 o 5 -1 13 354.28 272.49 3.30 o 2 0 13 458.93 426.03 21.58 o 3 0 13 698.15 660.73 80.91 o 4 0 13 1005.05 895.28 85.65 o 5 0 13 111.56 109.37 3.19 o 6 0 13 57.02 48.52 2.85 o 7 0 13 508.25 483.32 4.58 o 2 1 13 796.40 792.74 94.77 o 3 1 13 879.71 932.61 73.30 o 4 1 13 343.55 326.13 3.74 o 5 1 13 184.53 166.26 3.34 o 6 1 13 689.21 932.72 5.49 o 7 1 13 973.48 1141.22 6.04 o 2 2 13 702.32 780.55 56.22 o 3 2 13 1109.56 1122.54 34.64 o 4 2 13 880.61 816.24 4.41 o 5 2 13 565.73 664.54 4.59 o 6 2 13 595.07 562.72 4.00 o 7 2 13 1140.94 1126.38 6.09 o 8 2 13 1630.61 1353.53 51.80 o 2 3 13 788.85 727.82 47.88 o 3 3 13 746.27 686.71 4.00 o 4 3 13 681.48 489.40 4.04 o 5 3 13 454.15 504.54 3.97 o 6 3 13 312.99 330.65 3.56 o 7 3 13 1284.11 1247.09 5.95 o 8 3 13 1029.33 1108.74 76.67 o 2 4 13 431.47 349.35 15.01 o 3 4 13 184.21 179.11 2.60 o 4 4 13 241.18 236.91 3.26 o 5 4 13 291.52 242.44 3.42 o 6 4 13 359.20 333.17 3.05 o 7 4 13 296.13 273.54 14.71 o 8 4 13 1104.36 1153.63 5.78 o 3 5 13 94.64 90.72 2.25 o 4 5 13 269.23 258.38 3.41 o 5 5 13 919.14 1053.21 4.94 o 6 5 13 1011.60 1092.21 5.10 o 7 5 13 630.41 620.30 16.00 o 4 6 13 494.42 484.98 3.84 o 5 6 13 1123.26 1188.95 5.32 o 6 6 13 1180.65 1078.35 5.00 o