data_2241381 _cell_angle_alpha 90.000 _cell_angle_beta 100.606 _cell_angle_gamma 90.000 _cell_length_a 11.3248 _cell_length_b 15.1014 _cell_length_c 18.2732 _exptl_crystal_F_000 2410.00 _reflns_d_resolution_high 0.6983 _cod_data_source_file wm5233Isup2.hkl _cod_data_source_block I _shelx_title ' (CODPtSbF6)2F+ SbF6- yellow 0.1*0.1*0.02mm P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 801.57 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 11363.10 11219.10 268.95 o 2 0 0 80407.93 78588.56 1444.22 o 3 0 0 132068.56 132837.89 1808.50 o 4 0 0 684.56 597.42 132.24 o 5 0 0 74513.95 70409.19 1154.43 o 6 0 0 68732.32 68948.58 1057.86 o 7 0 0 92735.29 88009.54 1514.38 o 8 0 0 12566.95 13442.40 416.10 o 9 0 0 10427.67 10760.99 451.19 o 10 0 0 118130.63 122064.78 1805.23 o 11 0 0 7139.02 6316.98 343.73 o 12 0 0 29912.45 26976.99 759.80 o 13 0 0 303.83 549.99 371.49 o 14 0 0 1698.43 1557.86 382.72 o 15 0 0 14120.34 12879.35 684.79 o 1 1 0 183958.28 186376.20 1750.50 o 2 1 0 4771.62 5699.68 116.03 o 3 1 0 970.85 1601.91 88.99 o 4 1 0 159096.08 154633.34 1489.84 o 5 1 0 805.13 1174.90 132.67 o 6 1 0 17110.15 17082.32 291.39 o 7 1 0 23759.21 23667.81 480.63 o 8 1 0 45471.25 43019.45 551.15 o 9 1 0 9868.83 10550.93 314.46 o 10 1 0 4617.48 5086.28 289.85 o 11 1 0 85907.43 82065.43 927.74 o 12 1 0 342.61 511.50 244.15 o 13 1 0 10509.92 10294.12 380.54 o 14 1 0 5674.78 6249.24 420.17 o 15 1 0 18254.48 16513.72 619.32 o 0 2 0 178254.31 179788.95 3396.78 o 1 2 0 18411.13 19613.55 203.45 o 2 2 0 59229.09 60553.38 595.04 o 3 2 0 11989.08 12271.17 259.65 o 4 2 0 32958.57 34887.77 413.23 o 5 2 0 64272.57 68569.45 1009.59 o 6 2 0 6506.10 7476.93 207.38 o 7 2 0 28453.17 30655.04 432.61 o 8 2 0 21245.12 24327.80 395.61 o 9 2 0 19307.00 17531.31 448.93 o 10 2 0 365.04 264.86 162.75 o 11 2 0 26617.55 26412.48 464.74 o 12 2 0 7062.92 7637.21 341.73 o 13 2 0 18874.93 17713.71 530.49 o 14 2 0 5190.23 5050.95 397.94 o 15 2 0 11136.16 9720.21 482.52 o 1 3 0 34469.73 33437.48 333.38 o 2 3 0 127967.46 132887.78 1256.16 o 3 3 0 49707.26 48524.91 511.05 o 4 3 0 87765.41 88043.95 885.15 o 5 3 0 277.19 555.05 100.77 o 6 3 0 70696.40 72301.32 778.01 o 7 3 0 8645.06 9616.13 250.58 o 8 3 0 22238.32 22583.71 376.20 o 9 3 0 18651.14 16822.08 339.67 o 10 3 0 620.35 648.75 165.78 o 11 3 0 1435.48 1523.17 187.06 o 12 3 0 4960.60 5782.05 452.40 o 13 3 0 1935.98 2291.17 371.17 o 14 3 0 159.35 147.27 329.46 o 15 3 0 6030.71 7312.29 568.38 o 0 4 0 6682.39 7981.06 158.08 o 1 4 0 2268.53 2777.97 78.49 o 2 4 0 116491.59 122885.58 1163.74 o 3 4 0 112322.66 111450.70 1074.14 o 4 4 0 516.63 1250.20 90.82 o 5 4 0 6160.18 6130.42 168.83 o 6 4 0 12877.96 12155.08 251.37 o 7 4 0 1606.92 1844.01 151.06 o 8 4 0 15339.35 13875.35 301.95 o 9 4 0 1478.89 1824.20 177.88 o 10 4 0 8710.33 9353.31 270.65 o 11 4 0 14111.02 13970.34 375.55 o 12 4 0 15588.42 14418.09 447.44 o 13 4 0 31316.73 30247.66 725.28 o 14 4 0 1403.64 1131.85 356.87 o 15 4 0 452.26 119.18 346.23 o 1 5 0 107966.41 108490.66 1027.16 o 2 5 0 65656.47 64381.96 633.83 o 3 5 0 36493.26 35249.29 416.00 o 4 5 0 18804.55 20101.75 273.74 o 5 5 0 1113.20 1868.96 131.95 o 6 5 0 1650.22 2332.19 157.39 o 7 5 0 89382.29 88969.45 944.25 o 8 5 0 12479.26 12031.20 284.28 o 9 5 0 29609.62 28774.20 467.28 o 10 5 0 14394.81 14022.52 332.72 o 11 5 0 9173.40 9318.66 327.38 o 12 5 0 7929.36 8496.66 552.31 o 13 5 0 886.91 647.35 338.58 o 14 5 0 7991.56 8366.89 560.56 o 15 5 0 41.93 295.78 392.69 o 0 6 0 8293.78 8490.84 182.68 o 1 6 0 23675.88 22930.44 257.19 o 2 6 0 52088.11 50587.29 512.50 o 3 6 0 47620.59 48903.88 512.24 o 4 6 0 124112.22 127203.45 1237.23 o 5 6 0 5574.81 5724.81 170.75 o 6 6 0 77968.59 78503.10 835.50 o 7 6 0 22475.95 21342.64 347.66 o 8 6 0 315.65 464.70 143.29 o 9 6 0 11956.38 12133.64 306.66 o 10 6 0 794.66 730.77 175.56 o 11 6 0 652.39 1384.52 263.42 o 12 6 0 19362.72 18792.36 494.48 o 13 6 0 4742.55 5878.47 432.98 o 14 6 0 13590.43 11577.12 516.98 o 15 6 0 5861.62 5623.68 458.51 o 1 7 0 1270.58 1390.09 77.16 o 2 7 0 27839.12 26395.85 302.20 o 3 7 0 64009.21 60946.53 668.13 o 4 7 0 1010.55 1225.40 124.44 o 5 7 0 7517.64 7363.40 197.18 o 6 7 0 514.78 874.58 121.01 o 7 7 0 34320.52 34467.92 461.94 o 8 7 0 30493.45 29153.93 496.03 o 9 7 0 1065.99 1512.25 173.96 o 10 7 0 820.47 489.44 213.74 o 11 7 0 585.81 462.53 254.31 o 12 7 0 2.92 94.97 282.70 o 13 7 0 2436.65 2401.21 386.60 o 14 7 0 46.64 23.36 341.26 o 15 7 0 2198.27 1838.01 513.30 o 0 8 0 827.40 1357.02 157.80 o 1 8 0 93919.97 89979.32 875.81 o 2 8 0 13784.72 14529.97 207.08 o 3 8 0 10026.09 9515.16 176.66 o 4 8 0 668.06 698.27 103.61 o 5 8 0 202.93 85.91 134.74 o 6 8 0 2089.90 2393.43 149.04 o 7 8 0 10916.19 11148.19 272.24 o 8 8 0 8031.12 8176.34 381.80 o 9 8 0 15336.53 15412.40 396.61 o 10 8 0 325.56 562.35 307.45 o 11 8 0 4339.28 4533.44 365.86 o 12 8 0 279.12 115.59 262.50 o 13 8 0 149.22 205.94 354.79 o 14 8 0 3036.83 3286.07 416.58 o 1 9 0 3628.89 3853.74 152.35 o 2 9 0 26520.50 26471.90 318.14 o 3 9 0 8207.19 8297.43 195.24 o 4 9 0 5181.73 5065.47 249.51 o 5 9 0 62366.84 61409.38 723.06 o 6 9 0 12483.51 11942.57 315.02 o 7 9 0 25161.26 24315.13 399.42 o 8 9 0 1984.51 2000.90 215.08 o 9 9 0 8864.26 8963.28 443.55 o 10 9 0 38553.43 37186.43 735.87 o 11 9 0 1948.73 1270.69 282.84 o 12 9 0 3579.03 3806.77 424.35 o 13 9 0 643.08 201.19 425.09 o 14 9 0 8485.51 8548.95 516.58 o 0 10 0 1784.17 2025.83 189.74 o 1 10 0 113430.95 110333.70 1076.54 o 2 10 0 340.00 694.86 87.68 o 3 10 0 14234.52 14287.51 231.06 o 4 10 0 8665.32 8718.58 230.03 o 5 10 0 8041.87 7290.25 238.69 o 6 10 0 136820.25 136691.16 1599.10 o 7 10 0 1936.26 1973.58 202.64 o 8 10 0 286.46 518.10 193.97 o 9 10 0 37798.88 37683.60 625.81 o 10 10 0 9372.82 10047.12 364.47 o 11 10 0 3051.70 3181.22 320.66 o 12 10 0 7764.30 8051.66 412.83 o 13 10 0 17988.10 15794.60 590.86 o 14 10 0 4612.63 5613.91 558.39 o 1 11 0 339.44 756.39 88.73 o 2 11 0 92313.70 89504.34 900.27 o 3 11 0 56319.41 54679.20 594.20 o 4 11 0 3386.07 3627.19 186.19 o 5 11 0 147457.28 144592.02 1669.33 o 6 11 0 1285.30 986.67 171.00 o 7 11 0 3957.14 4482.25 270.04 o 8 11 0 6875.62 6933.95 319.04 o 9 11 0 5300.94 6102.00 303.10 o 10 11 0 20921.57 20306.79 521.47 o 11 11 0 310.41 -302.40 302.40 o 12 11 0 5511.98 5921.67 538.33 o 13 11 0 972.43 2239.56 519.00 o 0 12 0 3018.20 3972.71 273.74 o 1 12 0 47066.58 47330.91 568.55 o 2 12 0 12308.78 12611.51 361.23 o 3 12 0 3986.74 5136.41 194.76 o 4 12 0 2388.38 2468.14 179.20 o 5 12 0 4765.05 5331.87 249.02 o 6 12 0 35496.50 36276.15 624.64 o 7 12 0 5842.97 6747.36 305.72 o 8 12 0 8119.62 7982.17 338.46 o 9 12 0 12908.68 12919.48 507.45 o 10 12 0 16939.88 17071.41 542.73 o 11 12 0 1498.26 2276.65 364.12 o 12 12 0 3580.67 4165.59 509.30 o 13 12 0 20913.89 19548.87 1139.39 o 1 13 0 55.12 157.91 130.93 o 2 13 0 8456.78 7834.49 291.90 o 3 13 0 30400.41 29801.17 537.71 o 4 13 0 3233.81 3315.99 282.61 o 5 13 0 581.10 641.70 168.97 o 6 13 0 1497.92 1919.52 208.86 o 7 13 0 558.37 604.09 202.00 o 8 13 0 15945.13 16911.51 452.22 o 9 13 0 20497.73 19091.84 499.11 o 10 13 0 8689.65 8695.82 817.38 o 11 13 0 834.24 757.41 327.45 o 12 13 0 3061.93 2570.89 1517.50 o 0 14 0 27580.18 25248.54 597.02 o 1 14 0 22819.53 23210.07 407.17 o 2 14 0 9219.30 8846.98 315.65 o 3 14 0 24723.83 24158.08 560.45 o 4 14 0 7742.90 7494.66 362.65 o 5 14 0 4185.59 5121.85 343.04 o 6 14 0 780.77 938.59 275.42 o 7 14 0 23499.55 24145.66 651.40 o 8 14 0 13253.51 13235.78 536.03 o 9 14 0 90.87 432.52 333.56 o 10 14 0 109.83 425.74 429.97 o 11 14 0 431.55 816.09 450.92 o 12 14 0 2971.02 2235.45 588.93 o 1 15 0 22034.66 22086.63 469.46 o 2 15 0 5600.03 6257.74 329.94 o 3 15 0 4932.81 6056.63 337.41 o 4 15 0 15793.98 15041.64 483.67 o 5 15 0 2896.55 2860.48 384.78 o 6 15 0 68.39 247.63 277.94 o 7 15 0 2028.88 2997.59 352.70 o 8 15 0 22646.65 22850.04 670.99 o 9 15 0 178.62 106.07 340.60 o 10 15 0 29.94 515.21 427.03 o 11 15 0 13164.77 13690.87 710.31 o 0 16 0 31782.65 29756.93 938.07 o 1 16 0 3403.97 3587.30 281.34 o 2 16 0 22639.20 21532.56 540.44 o 3 16 0 12246.06 12462.72 442.92 o 4 16 0 3658.50 4389.14 339.63 o 5 16 0 7068.72 7564.36 582.22 o 6 16 0 125.32 146.75 283.54 o 7 16 0 9099.76 10213.76 594.83 o 8 16 0 974.36 703.86 338.74 o 9 16 0 6916.73 7007.78 549.55 o 10 16 0 4194.63 5168.20 554.75 o 1 17 0 27023.45 25792.71 742.35 o 2 17 0 3047.54 3898.32 326.74 o 3 17 0 43.85 7.09 242.06 o 4 17 0 9079.64 8324.02 421.88 o 5 17 0 3692.74 4578.80 376.70 o 6 17 0 2023.09 2220.53 417.78 o 7 17 0 594.76 909.92 389.31 o 8 17 0 1768.32 1738.78 385.98 o 9 17 0 7526.24 8612.82 742.61 o 0 18 0 276.05 750.39 538.38 o 1 18 0 294.11 496.07 374.73 o 2 18 0 1198.86 743.19 380.09 o 3 18 0 77.54 -284.85 346.66 o 4 18 0 65.75 151.53 289.92 o 5 18 0 167.17 313.76 296.69 o 6 18 0 89.41 348.81 422.33 o 7 18 0 15.98 292.88 342.95 o 8 18 0 1373.50 1054.55 386.07 o 1 19 0 9458.67 9686.84 643.85 o 2 19 0 542.71 524.18 433.07 o 3 19 0 1343.90 881.98 586.20 o 4 19 0 13448.17 13936.13 860.01 o 5 19 0 3332.68 3054.55 381.59 o 6 19 0 2223.66 2702.18 395.15 o 7 19 0 783.45 519.78 370.19 o 0 20 0 24195.02 23256.06 1317.53 o 1 20 0 848.91 700.03 451.14 o 2 20 0 4601.52 4024.55 559.39 o 3 20 0 3726.94 3949.24 805.90 o 4 20 0 993.17 740.44 475.69 o 5 20 0 5081.49 5790.63 608.52 o 1 21 0 15383.88 13687.51 772.98 o 2 21 0 462.08 894.75 480.23 o 3 21 0 2367.82 2122.10 574.75 o -15 1 1 4503.43 4234.82 399.30 o -14 1 1 6.89 -110.13 258.20 o -13 1 1 3743.30 2701.60 328.89 o -12 1 1 371.15 335.46 247.08 o -11 1 1 1700.68 2380.04 214.27 o -10 1 1 3169.60 3406.55 203.50 o -9 1 1 2715.87 3454.55 238.29 o -8 1 1 73098.95 76433.10 845.17 o -7 1 1 2707.76 2628.43 151.76 o -6 1 1 21396.08 20532.28 322.04 o -5 1 1 115758.40 113967.10 1139.32 o -4 1 1 23965.05 23790.00 543.07 o -3 1 1 65282.66 62545.73 860.30 o -2 1 1 208.28 587.67 56.44 o -1 1 1 80.16 472.54 34.97 o 0 1 1 85120.55 73092.60 1858.25 o 1 1 1 55507.68 58768.96 729.09 o 2 1 1 167088.22 177129.02 1655.09 o 3 1 1 13433.34 14984.81 217.42 o 4 1 1 25978.01 26804.65 333.87 o 5 1 1 63193.45 64063.41 681.12 o 6 1 1 28699.23 28247.24 416.39 o 7 1 1 48258.85 45003.89 812.12 o 8 1 1 701.95 1136.18 161.26 o 9 1 1 7201.72 8419.42 254.46 o 10 1 1 5386.66 5126.06 249.57 o 11 1 1 616.64 910.16 228.17 o 12 1 1 106.61 -97.17 184.98 o 13 1 1 898.83 1376.98 280.42 o 14 1 1 1389.26 1438.94 293.02 o 15 1 1 982.49 1837.14 327.33 o -15 2 1 6035.01 5998.28 947.52 o -14 2 1 622.89 731.84 430.48 o -13 2 1 8207.00 7935.68 388.97 o -12 2 1 1657.42 1759.52 261.53 o -11 2 1 3307.15 4139.99 282.36 o -10 2 1 76.93 189.42 154.35 o -9 2 1 24576.69 25541.33 414.20 o -8 2 1 31340.04 31317.98 454.14 o -7 2 1 43954.08 43986.48 548.93 o -6 2 1 58237.68 59396.43 666.71 o -5 2 1 43210.15 43113.79 615.62 o -4 2 1 189502.34 193045.75 1968.90 o -3 2 1 325.67 886.18 75.90 o -2 2 1 133264.33 144669.19 1498.41 o -1 2 1 14811.08 18185.85 205.60 o 0 2 1 29916.39 28051.03 327.82 o 1 2 1 3385.99 4909.95 92.62 o 2 2 1 5895.23 6636.69 128.52 o 3 2 1 134233.27 129251.68 2267.54 o 4 2 1 1101.38 1633.80 102.96 o 5 2 1 22561.33 23135.41 326.48 o 6 2 1 70523.95 73831.91 860.15 o 7 2 1 366.60 1034.48 147.39 o 8 2 1 127488.34 129019.19 1323.69 o 9 2 1 192.88 160.00 155.94 o 10 2 1 7852.71 7784.26 260.86 o 11 2 1 36403.50 37292.51 530.74 o 12 2 1 1217.97 811.51 247.32 o 13 2 1 5309.06 5917.09 376.42 o 14 2 1 1393.20 1929.84 301.26 o 15 2 1 12079.00 11188.34 627.38 o -15 3 1 14278.86 12783.05 627.36 o -14 3 1 90.36 -114.31 333.38 o -13 3 1 508.35 685.18 340.46 o -12 3 1 41794.70 37537.09 641.87 o -11 3 1 6.64 119.44 178.74 o -10 3 1 2828.40 3277.47 199.68 o -9 3 1 16714.39 15805.05 329.25 o -8 3 1 23124.16 24947.15 413.05 o -7 3 1 16453.80 15690.79 301.57 o -6 3 1 5966.08 4916.54 177.18 o -5 3 1 138600.33 136596.55 1342.75 o -4 3 1 8250.87 8167.83 172.69 o -3 3 1 55434.76 54506.29 558.61 o -2 3 1 26676.76 26392.89 285.92 o -1 3 1 15066.39 16137.71 177.99 o 0 3 1 78272.29 78012.33 794.34 o 1 3 1 109.47 351.84 51.00 o 2 3 1 4278.75 5457.16 179.80 o 3 3 1 38682.41 38737.75 777.39 o 4 3 1 67854.38 66868.20 1159.67 o 5 3 1 124.06 160.95 93.00 o 6 3 1 237.03 285.52 115.23 o 7 3 1 141796.92 141321.06 1512.85 o 8 3 1 536.87 841.41 158.44 o 9 3 1 2000.64 1730.68 178.30 o 10 3 1 15507.83 15415.00 328.37 o 11 3 1 5769.63 5569.94 246.32 o 12 3 1 15328.98 14705.00 446.25 o 13 3 1 790.61 892.48 274.13 o 14 3 1 19979.79 18095.69 583.76 o 15 3 1 3495.92 4364.20 460.46 o -15 4 1 146.60 291.71 354.12 o -14 4 1 641.88 400.19 348.78 o -13 4 1 3917.52 3936.74 399.61 o -12 4 1 8078.73 9736.63 481.02 o -11 4 1 44534.51 44655.11 638.60 o -10 4 1 594.56 650.93 165.34 o -9 4 1 13517.29 13023.50 303.54 o -8 4 1 46734.75 45214.21 570.12 o -7 4 1 11377.65 12118.66 268.67 o -6 4 1 9730.87 11765.32 245.56 o -5 4 1 62953.38 64227.82 684.83 o -4 4 1 183222.42 185449.23 1819.43 o -3 4 1 72574.53 78169.91 820.17 o -2 4 1 122562.23 125443.16 1508.10 o -1 4 1 360605.69 360680.31 3329.09 o 0 4 1 703.21 939.57 54.77 o 1 4 1 7780.03 7397.58 133.04 o 2 4 1 10230.40 11593.21 188.11 o 3 4 1 73717.71 73414.22 783.96 o 4 4 1 76851.39 79347.37 804.74 o 5 4 1 29018.76 28209.71 565.25 o 6 4 1 50023.41 51204.40 586.47 o 7 4 1 6667.04 7279.78 223.52 o 8 4 1 2787.77 3211.14 183.27 o 9 4 1 10241.31 10694.42 278.11 o 10 4 1 13497.96 12786.30 319.92 o 11 4 1 22773.97 22364.61 422.50 o 12 4 1 5514.55 6254.32 302.15 o 13 4 1 39.66 -258.98 258.98 o 14 4 1 457.00 744.26 340.25 o 15 4 1 12121.99 10795.79 512.28 o -15 5 1 806.46 1343.93 446.56 o -14 5 1 1916.68 2167.55 468.48 o -13 5 1 12021.21 12140.60 517.95 o -12 5 1 41516.57 39302.14 989.65 o -11 5 1 2611.78 3002.39 308.47 o -10 5 1 2419.71 2475.52 216.29 o -9 5 1 4631.05 4734.41 210.93 o -8 5 1 1002.33 1659.70 158.21 o -7 5 1 44296.89 43062.21 537.04 o -6 5 1 28838.88 29249.25 444.36 o -5 5 1 10079.93 10150.25 206.14 o -4 5 1 6798.15 6823.52 166.38 o -3 5 1 251.14 452.57 60.83 o -2 5 1 19114.26 19760.35 232.19 o -1 5 1 116886.99 115848.48 1094.05 o 0 5 1 116244.47 122274.65 1243.05 o 1 5 1 10208.44 11810.61 159.55 o 2 5 1 3550.33 4635.00 242.43 o 3 5 1 29429.04 27954.48 354.30 o 4 5 1 11947.96 11964.78 306.27 o 5 5 1 60812.82 61388.25 661.69 o 6 5 1 76522.76 76290.02 811.36 o 7 5 1 28944.80 27340.91 397.79 o 8 5 1 11079.56 10061.73 263.94 o 9 5 1 21098.71 20635.55 389.38 o 10 5 1 2131.79 2377.28 202.37 o 11 5 1 12220.79 11845.04 364.84 o 12 5 1 18477.82 18350.86 629.16 o 13 5 1 922.34 395.30 371.28 o 14 5 1 15260.68 14067.00 546.17 o 15 5 1 6457.32 6475.37 460.78 o -15 6 1 5381.96 5197.94 747.21 o -14 6 1 15075.25 13454.30 544.52 o -13 6 1 87.11 74.39 332.90 o -12 6 1 278.68 944.59 350.70 o -11 6 1 4416.30 4941.99 322.61 o -10 6 1 30946.03 30875.55 490.76 o -9 6 1 11136.46 11173.08 281.99 o -8 6 1 24489.88 23499.48 381.53 o -7 6 1 44650.07 45506.07 676.46 o -6 6 1 138.75 671.75 113.26 o -5 6 1 34254.74 33789.26 411.37 o -4 6 1 5939.07 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