# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_phsbclo4 _shelx_title ' Ph3Sb-O-SbPh3 (ClO4)2' _shelx_refln_list_code 4 _shelx_F_calc_maximum 735.50 _exptl_crystal_F_000 2624.00 _reflns_d_resolution_high 0.8116 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' _cell_length_a 14.9840 _cell_length_b 14.4370 _cell_length_c 25.3610 _cell_angle_alpha 90.000 _cell_angle_beta 107.390 _cell_angle_gamma 90.000 _shelx_F_squared_multiplier 1.000 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 74602.96 77583.45 428.02 o 4 0 0 201523.34 208387.14 967.88 o 6 0 0 22012.55 22739.06 445.56 o 8 0 0 83865.17 84873.35 902.35 o 10 0 0 536.24 601.08 179.87 o 12 0 0 7678.40 8136.83 280.54 o 14 0 0 56528.10 55112.45 1041.46 o 16 0 0 1052.91 1319.38 242.53 o 1 1 0 83021.13 83877.09 387.76 o 3 1 0 106068.80 107305.04 644.84 o 5 1 0 2182.60 1792.46 139.74 o 7 1 0 70444.02 70543.19 784.01 o 9 1 0 3618.86 3466.46 198.03 o 11 1 0 1108.88 1294.85 201.78 o 13 1 0 10412.24 10453.49 308.31 o 15 1 0 6311.38 5342.55 301.88 o 17 1 0 259.38 187.55 425.40 o 0 2 0 145496.08 142863.16 561.45 o 2 2 0 7421.32 7981.24 157.15 o 4 2 0 12861.72 12736.37 266.68 o 6 2 0 619.56 861.34 143.23 o 8 2 0 273.73 500.66 173.69 o 10 2 0 4532.30 4848.06 239.29 o 12 2 0 975.47 922.75 220.69 o 14 2 0 8482.66 8555.24 303.88 o 16 2 0 649.96 213.26 450.17 o 1 3 0 118.43 275.61 98.05 o 3 3 0 25968.25 24924.83 432.82 o 5 3 0 29532.09 31004.64 535.74 o 7 3 0 170716.13 167365.72 1262.02 o 9 3 0 346.88 559.71 193.29 o 11 3 0 13518.07 14191.43 330.53 o 13 3 0 15277.31 15419.44 356.87 o 15 3 0 13442.08 13397.87 374.22 o 17 3 0 4619.98 4252.59 321.23 o 0 4 0 84937.36 85793.87 631.73 o 2 4 0 30361.41 29339.45 435.82 o 4 4 0 11776.33 13618.93 276.48 o 6 4 0 68310.05 70143.75 828.64 o 8 4 0 37453.37 37395.45 725.41 o 10 4 0 1411.20 1134.70 225.31 o 12 4 0 7614.62 7281.30 293.27 o 14 4 0 10313.31 10707.75 359.80 o 16 4 0 1794.18 1989.18 273.11 o 1 5 0 3394.39 3251.08 140.55 o 3 5 0 64862.27 64588.38 689.46 o 5 5 0 2505.42 2918.49 183.24 o 7 5 0 3009.99 2616.41 211.57 o 9 5 0 15790.69 16900.53 347.69 o 11 5 0 36622.88 35614.92 725.53 o 13 5 0 431.68 525.13 428.77 o 15 5 0 2.08 -79.82 424.52 o 0 6 0 70413.89 67671.95 686.21 o 2 6 0 1126.02 1623.76 135.99 o 4 6 0 67919.65 70129.84 782.89 o 6 6 0 12883.64 12885.78 277.92 o 8 6 0 5677.55 5426.55 270.68 o 10 6 0 34785.85 32912.69 698.32 o 12 6 0 25.80 -50.30 431.33 o 14 6 0 19495.02 19619.73 439.00 o 1 7 0 21490.52 20503.23 398.68 o 3 7 0 211.74 -99.55 264.19 o 5 7 0 1482.21 1618.45 183.55 o 7 7 0 29566.36 30467.47 611.88 o 9 7 0 3902.06 3398.99 281.29 o 11 7 0 1197.58 1326.18 259.57 o 13 7 0 14878.30 14552.98 396.06 o 0 8 0 1472.20 1513.04 159.21 o 2 8 0 16979.96 18119.42 372.91 o 4 8 0 66537.78 68909.81 868.77 o 6 8 0 7035.69 6996.95 253.70 o 8 8 0 2801.17 2712.15 264.38 o 10 8 0 20814.15 20697.96 424.40 o 12 8 0 1528.39 1697.97 286.03 o 14 8 0 183.47 -232.98 481.63 o 1 9 0 42.48 126.20 277.48 o 3 9 0 111414.27 114240.39 1137.26 o 5 9 0 14220.14 14682.11 306.19 o 7 9 0 44422.42 44619.71 889.80 o 9 9 0 3656.06 3721.03 277.79 o 11 9 0 44363.39 42827.50 883.37 o 13 9 0 8.59 314.05 485.19 o 0 10 0 12098.03 12216.92 269.37 o 2 10 0 2072.17 2086.42 208.70 o 4 10 0 7190.60 7439.13 267.93 o 6 10 0 8695.18 9382.13 299.76 o 8 10 0 4961.20 5197.81 289.28 o 10 10 0 7906.42 8006.39 339.39 o 12 10 0 1174.95 1174.15 291.52 o 1 11 0 9013.21 8262.53 267.93 o 3 11 0 14005.05 13933.86 324.35 o 5 11 0 502.90 -277.92 410.79 o 7 11 0 4713.90 4910.53 281.73 o 9 11 0 1976.30 2060.08 262.75 o 11 11 0 11177.59 11493.13 374.53 o 0 12 0 4126.38 3731.77 246.46 o 2 12 0 5958.61 6942.59 277.54 o 4 12 0 27164.02 29462.96 549.97 o 6 12 0 97.14 447.74 387.08 o 8 12 0 2029.35 2096.09 266.31 o 10 12 0 21197.77 21329.31 457.66 o 1 13 0 1088.72 1145.31 224.56 o 3 13 0 6373.05 6180.05 281.23 o 5 13 0 10505.83 10907.15 330.34 o 7 13 0 3520.02 3782.70 281.35 o 9 13 0 3529.72 3125.44 293.02 o 0 14 0 24383.84 24068.86 478.57 o 2 14 0 236.14 -212.32 385.52 o 4 14 0 8979.89 9941.09 341.33 o 6 14 0 1233.13 261.38 464.90 o 8 14 0 2112.09 2309.60 289.65 o 1 15 0 875.73 928.75 225.93 o 3 15 0 24901.59 24691.41 491.68 o 5 15 0 3895.32 3966.31 290.53 o 0 16 0 668.17 464.28 418.41 o 2 16 0 4836.36 5555.12 309.56 o 4 16 0 3958.17 3780.95 300.57 o -17 1 1 3721.96 3871.13 292.27 o -15 1 1 751.27 779.46 228.55 o -13 1 1 41370.93 41179.52 744.51 o -11 1 1 0.47 -73.27 191.10 o -9 1 1 37.27 -68.28 288.47 o -7 1 1 133039.17 127998.06 1010.19 o -5 1 1 20215.42 18917.48 348.88 o -3 1 1 15228.48 14243.67 249.83 o -1 1 1 3388.02 3074.45 70.40 o 1 1 1 284504.13 271947.25 3066.53 o 3 1 1 24639.49 26256.88 375.09 o 5 1 1 55.56 189.29 232.48 o 7 1 1 56971.57 55675.96 714.67 o 9 1 1 2929.52 3175.18 191.48 o 11 1 1 17766.56 17223.51 353.25 o 13 1 1 2704.30 3021.03 228.61 o 15 1 1 33983.70 33729.16 687.09 o 17 1 1 753.82 854.48 256.07 o -16 2 1 945.40 1011.32 248.02 o -14 2 1 16996.53 16666.92 376.40 o -12 2 1 18868.85 18714.52 381.46 o -10 2 1 8713.53 8752.77 272.61 o -8 2 1 11162.19 11776.92 252.39 o -6 2 1 107189.00 109129.82 927.87 o -4 2 1 3836.90 3650.26 166.95 o -2 2 1 121.42 215.38 93.55 o 0 2 1 219030.30 213297.78 6385.35 o 2 2 1 12710.60 12587.89 246.84 o 4 2 1 17763.53 19549.21 358.87 o 6 2 1 18385.99 18974.09 362.67 o 8 2 1 113974.05 116793.39 1122.28 o 10 2 1 13144.40 13699.75 305.32 o 12 2 1 2089.22 2384.49 226.87 o 14 2 1 25374.37 25510.44 538.80 o 16 2 1 5060.85 4519.15 298.20 o -17 3 1 1023.37 1103.93 274.05 o -15 3 1 3094.18 3078.76 266.18 o -13 3 1 9860.04 9594.70 315.24 o -11 3 1 16435.27 15945.32 344.89 o -9 3 1 6366.42 6563.94 252.08 o -7 3 1 1186.74 1635.68 174.44 o -5 3 1 6624.78 6357.86 186.80 o -3 3 1 14782.33 15028.12 312.37 o -1 3 1 121788.69 118722.66 654.63 o 1 3 1 9058.53 10302.39 205.77 o 3 3 1 20837.54 20653.58 358.68 o 5 3 1 3108.49 3729.96 163.39 o 7 3 1 144.79 -148.48 284.22 o 9 3 1 23070.45 24842.82 498.36 o 11 3 1 10260.04 10050.24 303.57 o 13 3 1 643.76 1031.35 221.44 o 15 3 1 559.98 356.74 446.30 o 17 3 1 1195.13 1525.21 287.47 o -16 4 1 6094.36 5834.85 324.60 o -14 4 1 10689.78 10763.29 348.88 o -12 4 1 1114.02 753.24 246.21 o -10 4 1 49138.56 48631.95 865.71 o -8 4 1 1016.47 1061.93 202.15 o -6 4 1 59382.93 58283.14 761.98 o -4 4 1 63.87 -259.88 259.88 o -2 4 1 6707.85 6578.67 159.77 o 0 4 1 64234.93 62890.44 2013.68 o 2 4 1 2639.79 2466.00 136.93 o 4 4 1 123874.67 123571.71 950.59 o 6 4 1 10.80 -44.56 292.83 o 8 4 1 38413.08 39460.59 739.70 o 10 4 1 4051.09 3715.79 246.46 o 12 4 1 1345.78 1323.75 235.60 o 14 4 1 9703.38 9843.04 347.51 o 16 4 1 28.02 -41.88 449.36 o -17 5 1 2650.44 2415.39 315.80 o -15 5 1 3203.79 3335.39 288.47 o -13 5 1 30418.86 29194.78 587.54 o -11 5 1 750.58 507.65 434.95 o -9 5 1 1983.33 2134.47 245.21 o -7 5 1 45334.70 43026.28 756.68 o -5 5 1 10238.72 10709.06 235.98 o -3 5 1 21179.31 21964.03 385.39 o -1 5 1 4964.33 3762.73 145.29 o 1 5 1 44811.70 44219.15 535.99 o 3 5 1 362.20 -114.53 251.46 o 5 5 1 4043.54 4322.56 195.60 o 7 5 1 43713.77 44176.96 768.04 o 9 5 1 3716.03 3448.23 249.90 o 11 5 1 24062.28 23253.58 471.27 o 13 5 1 7637.38 7064.17 317.86 o 15 5 1 12749.12 12072.25 381.58 o -14 6 1 1920.95 2078.11 262.13 o -12 6 1 2451.52 2749.60 265.69 o -10 6 1 31763.42 31522.72 627.55 o -8 6 1 16285.85 16319.85 339.27 o -6 6 1 13876.41 14597.23 281.41 o -4 6 1 1624.39 1240.99 165.14 o -2 6 1 48995.90 51046.84 630.86 o 0 6 1 25313.63 26898.18 1341.32 o 2 6 1 18094.44 17701.89 361.24 o 4 6 1 59564.98 59666.74 739.89 o 6 6 1 45561.78 47641.55 771.53 o 8 6 1 1433.87 1446.32 233.17 o 10 6 1 8209.20 7175.70 302.13 o 12 6 1 11078.06 9697.18 342.45 o 14 6 1 6190.20 5829.29 320.05 o -13 7 1 12586.76 11768.43 375.59 o -11 7 1 10673.36 10736.40 346.82 o -9 7 1 42988.37 43231.24 785.51 o -7 7 1 9718.03 9120.19 286.28 o -5 7 1 184.83 430.89 171.01 o -3 7 1 118394.57 114795.86 1009.19 o -1 7 1 42421.84 45530.67 629.92 o 1 7 1 1649.53 1657.77 147.85 o 3 7 1 13502.30 13983.73 278.29 o 5 7 1 54792.39 58379.00 813.10 o 7 7 1 14678.95 15333.38 328.10 o 9 7 1 6445.16 6584.41 298.45 o 11 7 1 69625.96 67670.45 1155.24 o 13 7 1 1172.94 1009.01 265.37 o -14 8 1 5576.19 4855.80 344.39 o -12 8 1 4978.83 4708.07 316.68 o -10 8 1 26046.05 25481.67 520.95 o -8 8 1 1350.05 1305.34 238.10 o -6 8 1 28306.20 28520.67 573.37 o -4 8 1 8322.06 9248.38 241.35 o -2 8 1 12345.69 11414.62 240.78 o 0 8 1 20409.61 20455.84 293.97 o 2 8 1 9470.21 9231.84 224.37 o 4 8 1 49218.04 50523.59 772.40 o 6 8 1 166.85 -208.77 347.88 o 8 8 1 23795.97 23290.53 463.72 o 10 8 1 2844.48 3295.76 280.66 o 12 8 1 4886.26 4533.13 315.24 o 14 8 1 4288.44 4131.83 330.53 o -13 9 1 1067.41 539.61 509.15 o -11 9 1 19.73 109.59 438.13 o -9 9 1 5445.83 5551.25 304.69 o -7 9 1 483.67 107.60 413.04 o -5 9 1 2186.54 2483.29 212.64 o -3 9 1 16346.73 15882.78 332.72 o -1 9 1 3884.04 3521.75 193.04 o 1 9 1 4862.56 4909.60 199.15 o 3 9 1 3788.35 3834.44 206.58 o 5 9 1 5358.23 4673.56 244.40 o 7 9 1 3328.56 3145.60 261.13 o 9 9 1 11445.13 11359.45 346.51 o 11 9 1 4616.46 5041.79 323.79 o 13 9 1 265.17 190.23 495.42 o -12 10 1 9.05 -496.11 496.11 o -10 10 1 42799.60 43889.00 856.85 o -8 10 1 22559.22 22753.41 441.31 o -6 10 1 5618.95 5586.95 281.16 o -4 10 1 23745.73 24021.18 463.59 o -2 10 1 29888.83 30106.79 565.76 o 0 10 1 5732.50 6401.60 161.93 o 2 10 1 3835.95 4250.72 219.81 o 4 10 1 89431.25 87985.57 1114.79 o 6 10 1 1383.40 1510.67 242.16 o 8 10 1 10046.75 9646.94 326.47 o 10 10 1 13111.62 12866.19 374.91 o 12 10 1 11804.74 11785.28 405.49 o -11 11 1 10740.59 9808.84 369.04 o -9 11 1 22888.18 22176.48 428.83 o -7 11 1 27.50 -121.52 415.35 o -5 11 1 423.43 494.55 220.62 o -3 11 1 48362.94 48989.70 863.34 o -1 11 1 4186.77 4008.44 232.36 o 1 11 1 4886.91 5448.71 239.16 o 3 11 1 19132.86 21089.21 449.74 o 5 11 1 18063.58 19250.01 375.53 o 7 11 1 823.39 1023.49 228.30 o 9 11 1 1113.93 1421.73 241.91 o 11 11 1 23059.67 21769.99 474.08 o -10 12 1 463.65 590.29 271.30 o -8 12 1 0.45 -418.53 418.53 o -6 12 1 1.74 172.69 368.54 o -4 12 1 139.28 -102.73 390.45 o -2 12 1 3961.20 4075.66 259.63 o 0 12 1 286.24 155.40 386.76 o 2 12 1 743.92 978.86 222.56 o 4 12 1 568.71 120.02 422.90 o 6 12 1 560.73 984.60 223.50 o 8 12 1 2741.12 2961.61 267.31 o 10 12 1 118.63 -97.74 464.65 o -9 13 1 11136.57 11135.39 378.46 o -7 13 1 5859.54 5575.47 306.32 o -5 13 1 994.39 1253.16 237.10 o -3 13 1 43423.54 43928.13 789.57 o -1 13 1 7121.31 7154.23 290.03 o 1 13 1 12649.51 13191.54 332.40 o 3 13 1 5981.97 6397.18 288.09 o 5 13 1 7379.04 8688.30 311.68 o 7 13 1 1289.44 1193.93 254.14 o 9 13 1 382.78 117.21 438.63 o -8 14 1 3051.14 3149.35 304.38 o -6 14 1 3860.86 3287.71 286.66 o -4 14 1 11991.29 12741.37 358.43 o -2 14 1 39727.46 37918.46 767.22 o 0 14 1 1.48 203.48 258.68 o 2 14 1 1947.73 2216.23 231.61 o 4 14 1 24554.89 25837.29 516.95 o 6 14 1 230.82 -345.88 439.06 o 8 14 1 101.41 205.83 455.54 o -5 15 1 2185.19 2283.64 263.00 o -3 15 1 11.62 -220.00 414.10 o -1 15 1 1395.04 1830.65 247.46 o 1 15 1 5093.52 5839.72 291.09 o 3 15 1 4905.67 4649.72 291.21 o 5 15 1 2404.20 2508.50 277.04 o -4 16 1 521.08 656.51 259.13 o -2 16 1 2818.79 3289.46 284.66 o 0 16 1 9641.19 10245.86 250.75 o 2 16 1 1660.83 1538.82 259.76 o -16 0 2 2392.65 2188.90 262.13 o -14 0 2 5817.81 5288.62 274.55 o -12 0 2 89071.89 89689.59 1147.31 o -10 0 2 272.21 367.35 173.07 o -8 0 2 51251.98 54705.40 717.36 o -6 0 2 179140.91 175216.70 1055.81 o -4 0 2 224826.72 224641.36 969.62 o -2 0 2 25128.09 24910.36 263.88 o 0 0 2 68206.63 69606.88 1291.57 o 2 0 2 114240.20 117759.70 609.64 o 4 0 2 13259.43 14429.84 296.95 o 6 0 2 787.90 476.14 122.14 o 8 0 2 176502.08 180968.75 1326.74 o 10 0 2 38913.32 39076.45 753.81 o 12 0 2 1192.65 1709.89 216.63 o 14 0 2 15600.85 15125.79 358.87 o 16 0 2 17209.87 16359.98 404.18 o -17 1 2 28.02 627.73 230.55 o -15 1 2 339.72 395.81 221.56 o -13 1 2 14246.95 14157.48 342.39 o -11 1 2 14447.96 14541.31 315.68 o -9 1 2 1301.95 1429.41 177.44 o -7 1 2 13407.20 13910.27 281.73 o -5 1 2 148222.75 147972.30 909.52 o -3 1 2 9026.44 8622.27 172.88 o -1 1 2 4746.81 4190.06 85.75 o 1 1 2 151675.36 156863.94 631.85 o 3 1 2 78199.98 79813.47 617.56 o 5 1 2 42594.49 46643.84 586.54 o 7 1 2 15228.81 16556.58 319.30 o 9 1 2 33407.20 34285.62 679.41 o 11 1 2 141.09 235.23 344.76 o 13 1 2 422.63 298.83 357.62 o 15 1 2 15174.22 14675.56 390.26 o 17 1 2 442.90 294.77 257.51 o -16 2 2 4320.88 3956.51 288.22 o -14 2 2 55.29 63.72 369.60 o -12 2 2 2234.34 2133.22 238.79 o -10 2 2 14472.26 14859.92 310.62 o -8 2 2 391.08 -58.17 169.32 o -6 2 2 3993.44 3456.04 162.58 o -4 2 2 243.53 435.13 140.93 o -2 2 2 50790.23 50132.20 420.65 o 0 2 2 3518.01 3095.56 152.56 o 2 2 2 189.52 305.25 112.15 o 4 2 2 11699.06 11019.81 223.06 o 6 2 2 3397.74 3843.98 183.61 o 8 2 2 28597.95 28426.55 538.99 o 10 2 2 1046.47 890.24 203.40 o 12 2 2 7656.77 7573.13 293.90 o 14 2 2 384.96 102.85 402.80 o 16 2 2 2648.25 2596.88 295.83 o -17 3 2 2703.42 2331.44 289.09 o -15 3 2 574.86 -17.66 432.95 o -13 3 2 39222.39 37225.64 736.27 o -11 3 2 14019.20 14540.25 327.85 o -9 3 2 3617.57 3416.65 226.49 o -7 3 2 87678.02 92141.98 932.24 o -5 3 2 73228.84 71820.88 753.62 o -3 3 2 35780.09 35237.64 459.29 o -1 3 2 2253.18 1911.79 110.59 o 1 3 2 540956.50 517257.59 5917.54 o 3 3 2 36115.19 37134.07 517.20 o 5 3 2 49857.95 51864.37 673.17 o 7 3 2 7333.43 7206.65 217.75 o 9 3 2 57515.43 60802.57 919.51 o 11 3 2 12849.83 12231.71 323.73 o 13 3 2 292.47 -65.59 373.22 o 15 3 2 40709.47 38259.04 753.18 o -16 4 2 47.93 -99.30 474.39 o -14 4 2 4220.24 3982.98 282.41 o -12 4 2 27888.58 27979.50 591.72 o -10 4 2 5860.78 5798.90 269.62 o -8 4 2 709.70 641.71 197.22 o -6 4 2 50479.72 49891.29 716.48 o -4 4 2 2510.77 2194.20 155.28 o -2 4 2 12190.69 11967.52 236.48 o 0 4 2 73018.92 73773.11 2607.77 o 2 4 2 67553.88 71542.96 653.01 o 4 4 2 1988.56 1808.31 146.60 o 6 4 2 10.70 -291.59 291.59 o 8 4 2 37483.38 37149.12 644.09 o 10 4 2 15687.95 15374.69 339.27 o 12 4 2 537.13 378.65 401.56 o 14 4 2 5612.07 5488.96 295.14 o 16 4 2 6487.44 5869.74 335.02 o -17 5 2 8342.08 8269.33 371.16 o -15 5 2 3031.48 3066.03 292.90 o -13 5 2 1187.61 1200.73 254.45 o -11 5 2 1542.29 1470.73 256.32 o -9 5 2 45209.73 43058.23 838.12 o -7 5 2 3039.07 2513.00 221.94 o -5 5 2 1422.17 1409.19 177.69 o -3 5 2 34238.53 34660.52 525.01 o -1 5 2 55254.43 54400.64 589.41 o 1 5 2 1606.69 1420.42 126.94 o 3 5 2 7524.97 8809.32 187.36 o 5 5 2 67499.20 71916.68 854.48 o 7 5 2 9625.01 10321.86 270.87 o 9 5 2 7608.75 7310.75 281.98 o 11 5 2 20831.23 19760.28 391.94 o 13 5 2 5689.72 5253.05 295.96 o 15 5 2 2842.45 3024.27 297.58 o -14 6 2 86.49 501.60 425.58 o -12 6 2 3463.46 3714.11 282.66 o -10 6 2 20111.39 20064.41 403.30 o -8 6 2 23642.46 25352.23 519.95 o -6 6 2 81136.42 79997.59 922.75 o -4 6 2 268.21 387.45 145.61 o -2 6 2 111244.28 111909.51 890.99 o 0 6 2 13375.87 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