#------------------------------------------------------------------------------ #$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $ #$Revision: 819 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2222463.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_2222463_Fobs loop_ _publ_author_name 'Hosking, Stephanie' 'Lough, Alan J.' 'Fekl, Ulrich' _publ_section_title ; Tetraphenylarsonium cis-bis[1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]platinate(II) ; _journal_coeditor_code SU2119 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m759 _journal_page_last m760 _journal_volume 65 _journal_year 2009 _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 117.779 _cell_angle_gamma 90.000 _cell_length_a 24.9649 _cell_length_b 7.3189 _cell_length_c 23.6773 _exptl_crystal_F_000 1979.61 _reflns_d_resolution_high 0.7700 _[local]_cod_data_source_file su2119Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' k0809 in C2/c C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 679.51 _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 216639.86 197052.13 6243.69 o 6 0 0 49484.23 39358.30 678.10 o 8 0 0 121957.34 100647.74 2802.16 o 10 0 0 806.65 663.23 109.62 o 12 0 0 71251.41 73560.41 1850.88 o 14 0 0 3779.18 3390.60 266.33 o 16 0 0 77076.76 71602.46 2030.96 o 18 0 0 22772.86 19045.85 754.32 o 20 0 0 32489.01 30544.90 1085.38 o 22 0 0 2467.63 1843.42 476.80 o 24 0 0 9631.97 10659.54 918.17 o 26 0 0 939.83 564.65 405.24 o 28 0 0 4450.26 5207.91 933.05 o 1 1 0 337.49 80.54 234.37 o 3 1 0 1750.62 3953.61 403.05 o 5 1 0 2274.56 2139.51 195.64 o 7 1 0 5674.71 5136.98 153.69 o 9 1 0 4638.48 3096.04 155.84 o 11 1 0 1838.51 2777.00 256.67 o 13 1 0 8568.31 6684.14 219.45 o 15 1 0 577.23 445.44 129.91 o 17 1 0 1729.95 1419.44 143.08 o 19 1 0 238.60 225.95 172.09 o 21 1 0 1027.53 1301.94 412.24 o 23 1 0 2061.12 1689.79 312.49 o 25 1 0 36.54 291.55 311.03 o 27 1 0 2552.79 2391.56 526.37 o 0 2 0 131308.27 136072.17 2648.08 o 2 2 0 159437.23 169154.75 3327.01 o 4 2 0 23062.94 22281.56 334.63 o 6 2 0 15354.75 12519.44 337.03 o 8 2 0 14221.68 10349.68 238.74 o 10 2 0 19635.61 16620.43 333.20 o 12 2 0 22010.55 25097.07 550.60 o 14 2 0 58890.53 62382.18 1152.05 o 16 2 0 33310.17 30102.18 763.66 o 18 2 0 64624.35 60508.30 1288.54 o 20 2 0 23790.15 25345.71 709.51 o 22 2 0 25581.39 27218.51 1012.90 o 24 2 0 14829.14 14826.37 830.35 o 26 2 0 7380.86 8639.69 669.75 o 28 2 0 4043.09 4984.75 936.59 o 1 3 0 7229.64 8045.22 223.52 o 3 3 0 1251.50 1156.31 106.93 o 5 3 0 2672.69 4017.19 168.53 o 7 3 0 10680.60 12219.60 348.50 o 9 3 0 28.53 99.93 120.22 o 11 3 0 12243.24 12337.46 386.23 o 13 3 0 1915.45 2131.24 131.58 o 15 3 0 17757.92 19118.20 531.77 o 17 3 0 330.13 736.94 169.10 o 19 3 0 670.74 461.12 254.14 o 21 3 0 2970.96 2926.32 532.06 o 23 3 0 536.66 212.80 345.38 o 25 3 0 1149.07 1058.01 374.59 o 27 3 0 409.45 358.06 477.82 o 0 4 0 71795.58 84065.73 1952.10 o 2 4 0 89713.67 99596.81 1911.15 o 4 4 0 20084.23 20554.12 425.73 o 6 4 0 93228.69 93959.54 2080.66 o 8 4 0 14271.34 12867.68 343.94 o 10 4 0 48014.68 53752.78 1134.61 o 12 4 0 4984.28 5028.22 242.14 o 14 4 0 22810.10 25481.25 552.01 o 16 4 0 4140.45 4392.26 258.57 o 18 4 0 15967.62 17683.78 782.70 o 20 4 0 824.34 521.85 347.66 o 22 4 0 10925.45 12107.91 1308.53 o 24 4 0 1384.45 1767.14 1061.99 o 26 4 0 5214.20 4580.21 766.56 o 1 5 0 1475.24 1500.54 174.74 o 3 5 0 12292.84 14785.55 457.66 o 5 5 0 30.93 30.19 144.53 o 7 5 0 17443.89 18989.71 785.14 o 9 5 0 950.75 1059.13 183.29 o 11 5 0 18.42 158.29 155.40 o 13 5 0 5341.06 5837.98 374.54 o 15 5 0 1599.82 1653.08 280.08 o 17 5 0 2328.56 2269.80 211.16 o 19 5 0 1213.27 1086.76 333.79 o 21 5 0 400.14 109.35 290.39 o 23 5 0 738.02 1493.32 436.72 o 0 6 0 6410.28 6569.17 912.50 o 2 6 0 2867.89 2317.78 230.14 o 4 6 0 14980.96 14901.21 480.00 o 6 6 0 6960.22 6125.44 335.00 o 8 6 0 21247.07 22222.06 724.37 o 10 6 0 10753.77 11457.97 498.75 o 12 6 0 15033.57 17891.87 839.21 o 14 6 0 9277.39 11287.27 671.47 o 16 6 0 7584.69 8656.77 633.15 o 18 6 0 6519.68 6971.27 624.30 o 20 6 0 7860.32 10319.06 1110.52 o 22 6 0 8673.08 8503.11 760.96 o 1 7 0 748.46 655.32 287.39 o 3 7 0 442.12 885.02 387.73 o 5 7 0 134.79 15.99 252.92 o 7 7 0 281.43 113.63 299.10 o 9 7 0 2028.09 1735.38 380.75 o 11 7 0 358.97 373.34 401.99 o 13 7 0 2069.73 1811.14 417.34 o 15 7 0 149.02 119.89 375.99 o 17 7 0 8.98 196.59 479.64 o 19 7 0 0.54 103.41 456.52 o 0 8 0 16074.37 16816.08 1295.07 o 2 8 0 2071.72 1969.12 406.79 o 4 8 0 13738.18 12079.29 1217.14 o 6 8 0 4389.85 2975.82 460.11 o 8 8 0 18312.31 17971.09 1020.20 o 10 8 0 3975.52 3570.92 495.04 o 12 8 0 9943.58 10280.17 820.57 o 14 8 0 1121.18 895.78 407.01 o 1 9 0 20.26 25.29 443.35 o 3 9 0 767.08 703.23 639.39 o 5 9 0 605.92 977.68 494.48 o 7 9 0 646.17 462.21 508.68 o 9 9 0 658.57 0.71 619.91 o -27 1 1 9013.75 9609.91 735.79 o -25 1 1 4089.14 4025.98 453.34 o -23 1 1 11713.81 14403.77 694.56 o -21 1 1 12859.75 12984.55 735.45 o -19 1 1 34332.17 36516.99 892.14 o -17 1 1 26978.80 23821.46 579.73 o -15 1 1 71889.51 68173.90 1347.77 o -13 1 1 39259.72 39598.16 723.64 o -11 1 1 88602.27 97675.33 1863.14 o -9 1 1 4892.60 5127.85 124.96 o -7 1 1 21979.44 20052.21 532.56 o -5 1 1 6139.70 7371.77 285.09 o -3 1 1 109665.19 115995.27 2154.12 o -1 1 1 40158.00 42229.09 856.53 o 1 1 1 195312.67 203336.56 3575.58 o 3 1 1 19337.23 20630.08 760.40 o 5 1 1 100631.78 105112.09 2272.40 o 7 1 1 22790.09 23305.58 595.08 o 9 1 1 84558.47 77672.91 1208.94 o 11 1 1 7392.35 5516.11 235.36 o 13 1 1 32937.78 34061.23 744.44 o 15 1 1 33786.59 33492.99 741.69 o 17 1 1 47000.23 47255.01 991.85 o 19 1 1 11422.86 10166.16 368.35 o 21 1 1 19967.43 22435.23 1202.65 o 23 1 1 6728.73 7793.66 758.41 o 25 1 1 8413.98 9072.42 933.75 o 27 1 1 1571.66 2907.40 743.53 o -28 2 1 923.72 1117.93 412.68 o -26 2 1 2486.35 2736.91 502.70 o -24 2 1 2259.88 2016.22 330.02 o -22 2 1 1489.40 1949.82 371.59 o -20 2 1 5897.58 5145.37 300.22 o -18 2 1 4833.01 3499.88 318.64 o -16 2 1 8085.11 8929.93 326.03 o -14 2 1 3065.60 1905.10 176.89 o -12 2 1 3215.94 3239.25 202.33 o -10 2 1 1337.18 1270.17 163.68 o -8 2 1 40951.07 38831.86 937.52 o -6 2 1 6822.02 8672.36 330.86 o -4 2 1 17936.59 20275.01 550.53 o -2 2 1 869.79 871.21 77.52 o 0 2 1 137.18 180.26 52.77 o 2 2 1 2518.89 2528.58 128.77 o 4 2 1 37282.34 34000.33 454.38 o 6 2 1 1137.60 1076.59 87.09 o 8 2 1 21870.48 18130.40 239.44 o 10 2 1 50.31 41.72 55.22 o 12 2 1 13875.64 12969.78 288.54 o 14 2 1 968.56 551.33 105.93 o 16 2 1 7026.56 8097.81 433.90 o 18 2 1 4241.82 3544.47 258.92 o 20 2 1 931.73 1201.46 244.27 o 22 2 1 2980.30 2968.46 579.52 o 24 2 1 1561.58 1397.02 950.76 o 26 2 1 1108.97 1487.31 406.94 o -27 3 1 2738.58 1697.89 534.27 o -25 3 1 8840.34 9459.96 1148.77 o -23 3 1 1719.33 1985.66 362.56 o -21 3 1 15904.28 16848.92 762.90 o -19 3 1 3731.58 3887.51 834.80 o -17 3 1 30196.33 29423.70 721.81 o -15 3 1 22849.29 20446.66 516.00 o -13 3 1 54644.97 58661.25 1235.90 o -11 3 1 15385.64 19030.21 451.91 o -9 3 1 77591.14 90894.91 3015.82 o -7 3 1 28600.05 30253.23 507.75 o -5 3 1 81225.36 88237.87 1766.15 o -3 3 1 31128.98 34793.54 598.50 o -1 3 1 96125.58 105964.81 1883.44 o 1 3 1 52496.13 57865.31 1133.52 o 3 3 1 79694.87 92260.63 1425.09 o 5 3 1 7958.45 9035.67 324.88 o 7 3 1 127152.47 143874.39 2182.55 o 9 3 1 25444.14 23909.47 628.83 o 11 3 1 53521.52 53806.75 819.05 o 13 3 1 11864.13 11209.16 485.52 o 15 3 1 43089.09 42802.31 919.19 o 17 3 1 6237.81 4404.72 271.59 o 19 3 1 28628.24 30001.83 776.65 o 21 3 1 3325.56 3259.11 393.17 o 23 3 1 9367.46 9755.46 624.86 o 25 3 1 1527.16 1449.72 389.55 o -26 4 1 11.47 0.71 393.03 o -24 4 1 198.45 1.08 414.14 o -22 4 1 944.13 512.31 502.65 o -20 4 1 156.14 184.46 231.90 o -18 4 1 691.83 685.85 229.56 o -16 4 1 6.67 142.14 93.18 o -14 4 1 528.03 792.96 171.27 o -12 4 1 368.22 221.28 144.47 o -10 4 1 1748.08 1449.05 172.24 o -8 4 1 1014.09 756.37 202.37 o -6 4 1 9142.51 7992.77 291.48 o -4 4 1 19.52 15.08 98.15 o -2 4 1 3079.92 3939.41 199.60 o 0 4 1 263.17 310.53 109.42 o 2 4 1 503.42 321.65 104.23 o 4 4 1 4671.64 5055.30 334.71 o 6 4 1 2504.38 3461.97 210.97 o 8 4 1 1261.01 1449.02 137.97 o 10 4 1 1301.75 1213.86 139.38 o 12 4 1 39.93 136.73 155.79 o 14 4 1 464.88 693.61 164.72 o 16 4 1 97.35 251.20 94.34 o 18 4 1 42.37 6.36 227.55 o 20 4 1 123.14 1.17 277.22 o 22 4 1 206.95 226.84 371.75 o 24 4 1 86.37 23.30 415.20 o -23 5 1 6466.06 5879.56 565.07 o -21 5 1 16837.98 18145.14 884.26 o -19 5 1 3449.13 3556.47 556.50 o -17 5 1 20772.49 19795.78 710.05 o -15 5 1 10643.50 9991.35 584.64 o -13 5 1 24352.17 26810.02 799.86 o -11 5 1 9857.61 11587.08 423.07 o -9 5 1 25661.72 30767.30 724.06 o -7 5 1 14476.94 16674.92 477.24 o -5 5 1 30109.39 34383.18 749.87 o -3 5 1 9503.01 9970.01 399.52 o -1 5 1 24285.28 24326.38 588.00 o 1 5 1 6985.00 7325.44 494.31 o 3 5 1 23643.80 25220.53 603.35 o 5 5 1 11312.93 11691.87 375.70 o 7 5 1 40099.42 43049.50 944.47 o 9 5 1 25676.54 25170.19 867.35 o 11 5 1 30041.98 31401.72 789.13 o 13 5 1 8922.20 9697.98 833.40 o 15 5 1 28454.75 28513.71 1032.55 o 17 5 1 4790.64 3740.93 243.51 o 19 5 1 17667.26 18615.83 918.01 o 21 5 1 7749.03 7306.62 605.05 o 23 5 1 8065.41 8778.68 718.33 o -22 6 1 91.48 310.79 431.25 o -20 6 1 371.68 356.96 392.61 o -18 6 1 374.54 232.88 330.61 o -16 6 1 3907.68 3396.75 405.78 o -14 6 1 9.72 255.40 358.18 o -12 6 1 7599.44 7380.78 505.22 o -10 6 1 625.32 682.85 354.70 o -8 6 1 1514.06 1596.38 219.40 o -6 6 1 533.58 173.47 170.79 o -4 6 1 2072.18 2602.62 710.13 o -2 6 1 6222.09 6678.64 326.88 o 0 6 1 1283.80 524.94 178.46 o 2 6 1 3183.90 4489.94 260.67 o 4 6 1 7015.23 5941.87 304.88 o 6 6 1 134.83 271.00 171.49 o 8 6 1 269.21 430.94 204.43 o 10 6 1 8731.20 8751.59 467.25 o 12 6 1 14.56 239.79 285.19 o 14 6 1 4130.86 3543.91 422.52 o 16 6 1 8.75 121.15 382.38 o 18 6 1 590.44 847.67 308.33 o 20 6 1 670.20 294.76 485.65 o -19 7 1 3947.89 3502.80 1185.26 o -17 7 1 989.52 1005.06 419.71 o -15 7 1 10407.80 11018.39 1963.86 o -13 7 1 1322.19 374.17 344.69 o -11 7 1 22525.12 24632.17 2171.08 o -9 7 1 8530.22 8985.86 599.68 o -7 7 1 28193.73 31670.27 1159.31 o -5 7 1 12225.51 12911.59 740.34 o -3 7 1 44031.59 47502.02 1553.11 o -1 7 1 2265.89 1462.41 668.08 o 1 7 1 42575.10 45018.45 1583.77 o 3 7 1 6527.00 6239.91 468.20 o 5 7 1 22274.43 23411.06 919.05 o 7 7 1 10773.79 9984.10 855.47 o 9 7 1 29849.48 31844.56 1310.79 o 11 7 1 2618.90 3335.53 449.60 o 13 7 1 13725.69 13688.40 769.15 o 15 7 1 756.39 663.42 694.29 o 17 7 1 5178.56 4582.20 600.39 o -14 8 1 73.79 25.90 432.10 o -12 8 1 434.42 482.60 525.33 o -10 8 1 32.34 2.68 375.72 o -8 8 1 165.35 117.12 401.47 o -6 8 1 32.61 362.19 471.37 o -4 8 1 584.54 642.89 378.66 o -2 8 1 93.76 173.71 445.33 o 0 8 1 10.27 385.90 339.71 o 2 8 1 994.70 587.81 499.47 o 4 8 1 1220.34 686.71 539.14 o 6 8 1 748.22 4.72 354.03 o 8 8 1 229.32 139.96 334.28 o 10 8 1 61.78 458.52 435.35 o 12 8 1 76.70 300.57 370.07 o 14 8 1 431.94 590.04 545.03 o -9 9 1 2927.34 1411.26 940.13 o -7 9 1 4391.37 2935.97 1072.61 o -5 9 1 2469.72 2318.12 650.79 o -3 9 1 2318.48 2129.31 503.67 o -1 9 1 1633.93 1725.00 556.80 o 1 9 1 1084.31 647.45 501.44 o 3 9 1 1711.31 1139.23 817.57 o 5 9 1 3362.38 3650.88 930.92 o 7 9 1 2875.32 2687.34 769.39 o -28 0 2 1402.07 1618.13 575.98 o -26 0 2 4187.22 6485.27 787.10 o -24 0 2 428.07 729.01 507.97 o -22 0 2 5682.23 6419.79 508.52 o -20 0 2 2073.89 2247.06 544.81 o -18 0 2 21081.96 20377.33 552.96 o -16 0 2 17820.85 13792.79 347.67 o -14 0 2 183514.56 162022.25 4094.53 o -12 0 2 35071.14 30486.55 841.17 o -10 0 2 71000.33 69048.82 2581.99 o -8 0 2 35518.52 31539.97 1033.63 o -6 0 2 189994.16 162861.95 2559.11 o -4 0 2 651.65 1190.82 213.91 o 2 0 2 461727.56 347467.84 8087.81 o 4 0 2 251874.66 232769.80 9392.80 o 6 0 2 145931.02 133164.14 3948.97 o 8 0 2 1662.75 1041.92 137.00 o 10 0 2 54770.70 47162.64 1251.49 o 12 0 2 1068.65 1319.84 173.80 o 14 0 2 35738.29 36231.87 2415.15 o 16 0 2 7568.39 6919.44 338.17 o 18 0 2 28894.14 30018.60 1612.85 o 20 0 2 7020.82 7533.68 1106.97 o 22 0 2 23971.61 26184.09 1479.98 o 24 0 2 2584.84 2225.28 479.63 o 26 0 2 8103.22 9105.17 959.26 o -29 1 2 2010.94 1939.62 456.25 o -27 1 2 291.64 362.39 358.13 o -25 1 2 522.57 228.35 290.19 o -23 1 2 1484.72 1125.91 390.88 o -21 1 2 176.03 337.86 211.27 o -19 1 2 8660.28 7669.04 410.57 o -17 1 2 478.94 429.43 134.61 o -15 1 2 10197.29 8659.41 352.38 o -13 1 2 4788.82 3788.14 183.45 o -11 1 2 10255.87 10421.45 305.02 o -9 1 2 9848.80 8602.28 215.83 o -7 1 2 191.58 137.62 59.51 o -5 1 2 5411.39 8706.71 367.27 o -3 1 2 246.00 656.86 177.04 o -1 1 2 110348.55 101714.69 1008.14 o 1 1 2 184.33 41.19 145.18 o 3 1 2 72678.17 67459.73 1252.26 o 5 1 2 23105.82 21997.43 723.66 o 7 1 2 16220.64 14142.50 248.53 o 9 1 2 5273.36 5896.63 191.93 o 11 1 2 9423.16 9929.75 264.38 o 13 1 2 2950.72 2603.06 214.84 o 15 1 2 3299.97 2856.73 416.93 o 17 1 2 1097.08 567.34 214.64 o 19 1 2 664.92 613.34 155.31 o 21 1 2 2656.55 2844.07 301.30 o 23 1 2 297.26 725.49 336.64 o 25 1 2 1520.15 1779.00 724.40 o 27 1 2 116.30 0.35 431.07 o -28 2 2 11784.73 14045.12 913.16 o -26 2 2 11898.39 12982.66 1003.89 o -24 2 2 10388.97 11389.48 659.04 o -22 2 2 8416.54 8109.99 714.84 o -20 2 2 31334.90 32404.03 1038.43 o -18 2 2 26608.37 27541.25 677.75 o -16 2 2 35000.10 29432.54 768.26 o -14 2 2 66837.88 57838.07 1083.32 o -12 2 2 56309.27 56695.13 1250.44 o -10 2 2 28726.84 30358.06 617.34 o -8 2 2 18718.24 18825.04 469.08 o -6 2 2 19264.20 18570.53 433.81 o -4 2 2 14573.59 15096.60 255.42 o -2 2 2 35248.56 38377.15 901.40 o 0 2 2 31193.87 33766.35 456.73 o 2 2 2 22050.59 21947.11 598.05 o 4 2 2 83677.25 92142.87 1388.09 o 6 2 2 69270.66 80552.55 1536.59 o 8 2 2 28539.07 28965.00 653.40 o 10 2 2 12077.28 8303.70 213.18 o 12 2 2 36488.95 34111.83 697.13 o 14 2 2 22145.40 24479.30 688.23 o 16 2 2 60649.91 63435.31 1329.38 o 18 2 2 28797.92 29402.31 806.16 o 20 2 2 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