# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' C42 H44 O18 P2 Pt Re4 in P2(1)/c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 1126.84 _exptl_crystal_F_000 3392.00 _reflns_d_resolution_high 0.7964 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 17.5610 _cell_length_b 16.7280 _cell_length_c 17.4080 _cell_angle_alpha 90.000 _cell_angle_beta 102.420 _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 3 0 0 235569.88 225222.38 3212.27 o 4 0 0 39271.60 37222.56 1311.03 o 5 0 0 145005.22 144663.67 4644.23 o 6 0 0 149396.50 155114.67 2832.43 o 7 0 0 622768.75 631145.19 8761.82 o 8 0 0 154177.72 152726.20 3578.88 o 9 0 0 23699.97 21485.73 2103.36 o 10 0 0 23279.21 23069.88 1737.34 o 11 0 0 3268.04 2154.47 1104.87 o 12 0 0 171876.45 176575.34 7578.30 o 13 0 0 1735.54 692.14 840.35 o 14 0 0 276.08 -165.47 1030.69 o 15 0 0 6092.94 4829.11 1479.66 o 16 0 0 12562.77 9358.33 2030.24 o 17 0 0 45835.54 48582.30 3094.71 o 18 0 0 25354.81 22746.65 2505.56 o 19 0 0 105019.13 111564.82 6632.72 o 20 0 0 19600.72 22319.32 2373.78 o 21 0 0 2879.31 1597.92 1996.11 o 2 1 0 31153.69 32664.86 945.18 o 3 1 0 6095.51 7119.63 780.32 o 4 1 0 34837.20 33583.35 1306.94 o 5 1 0 68738.48 65256.81 1903.68 o 6 1 0 125735.95 130431.76 2582.32 o 7 1 0 38835.45 41255.02 1807.27 o 8 1 0 151469.31 155721.05 3258.95 o 9 1 0 7637.49 10068.22 1289.59 o 10 1 0 997.43 -329.45 1222.11 o 11 1 0 25434.43 22913.56 2632.96 o 12 1 0 61282.91 57245.99 3240.51 o 13 1 0 107264.18 106788.72 5672.57 o 14 1 0 80.86 1650.01 1165.05 o 15 1 0 5083.33 5208.64 1913.91 o 16 1 0 3705.64 2094.02 1204.38 o 17 1 0 1624.06 1214.95 1085.85 o 18 1 0 5955.47 3803.08 1726.84 o 19 1 0 240.80 1409.76 1209.96 o 20 1 0 46421.85 47831.64 5358.66 o 21 1 0 163.67 0.95 1349.73 o 0 2 0 1269773.75 1341027.50 8229.35 o 1 2 0 328969.78 330504.28 3071.74 o 2 2 0 38963.91 36686.00 1388.83 o 3 2 0 54012.14 52856.20 1792.49 o 4 2 0 2942.05 3328.22 1168.69 o 5 2 0 10754.32 12264.09 1416.99 o 6 2 0 88212.33 85935.99 2787.16 o 7 2 0 257754.50 256422.80 4690.16 o 8 2 0 50187.19 49720.02 2467.52 o 9 2 0 91.97 699.96 824.90 o 10 2 0 1151.85 -134.26 689.98 o 11 2 0 14823.71 12259.01 2014.45 o 12 2 0 63344.20 60982.59 8560.60 o 13 2 0 6224.47 4329.44 1831.89 o 14 2 0 22264.80 22968.08 2749.00 o 15 2 0 15521.67 10542.00 2280.69 o 16 2 0 18542.50 15947.20 2983.79 o 17 2 0 5010.78 2466.53 1545.88 o 18 2 0 33749.09 30316.44 3523.48 o 19 2 0 59547.58 61592.84 4097.56 o 20 2 0 7990.43 4452.62 3073.56 o 21 2 0 189.99 -816.78 1130.52 o 1 3 0 75735.95 72670.46 1820.46 o 2 3 0 44569.16 42589.68 1645.32 o 3 3 0 155045.30 152977.86 4790.93 o 4 3 0 20566.15 19613.86 1600.25 o 5 3 0 2773.58 3576.49 1099.47 o 6 3 0 380963.81 381245.47 5531.18 o 7 3 0 363.19 749.27 866.41 o 8 3 0 9473.16 8788.51 1438.27 o 9 3 0 6658.60 6904.15 1753.20 o 10 3 0 439.40 -594.33 1121.71 o 11 3 0 21471.45 17453.40 2309.81 o 12 3 0 8043.97 5973.52 1843.96 o 13 3 0 165693.20 179502.28 5509.27 o 14 3 0 43961.45 48731.73 4167.37 o 15 3 0 17461.74 20001.83 6565.13 o 16 3 0 12929.39 15945.78 2961.36 o 17 3 0 94.11 7.41 870.87 o 18 3 0 6115.83 7044.06 1976.48 o 19 3 0 15415.96 23241.44 10449.06 o 20 3 0 11384.63 9183.25 2648.55 o 21 3 0 4010.41 4504.80 1690.82 o 0 4 0 55635.59 56340.15 2576.54 o 1 4 0 61281.57 59494.94 2047.91 o 2 4 0 1096.45 -269.80 1068.64 o 3 4 0 206.84 1153.00 1092.15 o 4 4 0 61031.66 56779.02 2327.27 o 5 4 0 244021.69 250982.47 4528.86 o 6 4 0 7464.69 7985.85 1558.28 o 7 4 0 298352.81 288070.81 8152.10 o 8 4 0 19.68 323.64 732.95 o 9 4 0 13472.32 15070.71 1740.92 o 10 4 0 2622.18 696.10 1008.55 o 11 4 0 2978.84 597.63 996.87 o 12 4 0 6667.69 5648.11 1908.30 o 13 4 0 21823.97 23966.80 4140.31 o 14 4 0 92674.84 99790.34 6592.40 o 15 4 0 1585.17 2145.11 1215.13 o 16 4 0 16965.66 12776.73 4988.34 o 17 4 0 9076.98 3609.52 1836.26 o 18 4 0 18172.62 23871.92 4445.68 o 19 4 0 8989.25 5280.95 2232.43 o 20 4 0 282.87 15.39 792.18 o 21 4 0 103.76 432.36 1500.82 o 1 5 0 15562.53 15779.07 1459.58 o 2 5 0 5706.55 7238.87 1263.73 o 3 5 0 72884.22 70344.84 2507.64 o 4 5 0 42216.04 40142.32 3139.50 o 5 5 0 79438.12 79389.55 3006.21 o 6 5 0 391353.16 377335.44 9331.64 o 7 5 0 22694.11 22489.80 3866.30 o 8 5 0 2975.00 2881.78 1470.32 o 9 5 0 107119.85 115951.52 3994.23 o 10 5 0 24555.40 24963.56 2347.44 o 11 5 0 49884.46 54041.05 3369.41 o 12 5 0 52182.30 58292.16 3613.53 o 13 5 0 178591.55 192076.42 7777.50 o 14 5 0 72491.32 76949.30 3828.80 o 15 5 0 1238.96 714.78 1216.99 o 16 5 0 28515.14 30626.85 3529.34 o 17 5 0 216.48 291.10 1207.67 o 18 5 0 302.51 1550.89 1074.71 o 19 5 0 11145.63 8115.12 2511.41 o 20 5 0 11714.08 7326.77 3166.11 o 0 6 0 126396.65 128530.05 4541.36 o 1 6 0 32.23 261.08 828.09 o 2 6 0 20140.12 23439.36 1937.96 o 3 6 0 3110.01 1628.13 1263.33 o 4 6 0 10345.49 11235.73 1539.81 o 5 6 0 24306.23 25530.05 2770.03 o 6 6 0 33.84 -722.62 722.62 o 7 6 0 69930.31 72021.24 3153.03 o 8 6 0 5128.65 2846.25 1416.50 o 9 6 0 16394.38 19547.79 3912.08 o 10 6 0 5173.77 1785.70 2261.04 o 11 6 0 3137.19 1643.43 1962.46 o 12 6 0 29989.69 31595.41 4144.75 o 13 6 0 581.29 2364.17 1354.96 o 14 6 0 25269.66 23802.98 3080.50 o 15 6 0 828.03 -222.28 1065.54 o 16 6 0 71.85 -828.26 890.10 o 17 6 0 863.56 337.02 1033.81 o 18 6 0 272.00 234.43 1764.84 o 19 6 0 6915.96 2897.17 3411.29 o 20 6 0 144.16 1059.86 1028.03 o 1 7 0 97101.97 99324.02 3085.35 o 2 7 0 57797.07 54495.85 3182.03 o 3 7 0 7378.56 7693.32 1659.34 o 4 7 0 67070.52 64227.48 5918.63 o 5 7 0 152440.30 164816.55 5338.77 o 6 7 0 173932.59 182131.30 5388.21 o 7 7 0 188608.75 195012.69 5114.54 o 8 7 0 158.16 756.96 1045.69 o 9 7 0 59223.52 64791.16 3452.54 o 10 7 0 147623.47 164954.06 5276.00 o 11 7 0 1000.56 431.82 1757.51 o 12 7 0 124151.09 135722.09 6905.10 o 13 7 0 135322.83 137915.88 5513.35 o 14 7 0 21663.08 19040.51 2816.25 o 15 7 0 17580.24 23711.62 2999.96 o 16 7 0 5091.46 3882.96 1827.38 o 17 7 0 7544.55 4227.85 2043.89 o 18 7 0 635.65 989.97 1184.16 o 19 7 0 24.58 1384.65 956.25 o 20 7 0 26953.44 36695.54 6988.71 o 0 8 0 161890.91 158671.03 5951.24 o 1 8 0 11309.22 11349.63 1716.45 o 2 8 0 8466.88 8202.90 1569.22 o 3 8 0 22055.09 19061.94 2232.21 o 4 8 0 33566.18 33002.05 2378.11 o 5 8 0 3508.39 998.50 1206.86 o 6 8 0 763.14 729.68 1177.49 o 7 8 0 31816.45 33803.96 2498.11 o 8 8 0 17181.76 13691.57 3257.24 o 9 8 0 34702.26 32495.32 4351.72 o 10 8 0 26948.89 24503.83 2897.91 o 11 8 0 232.99 -944.35 944.35 o 12 8 0 38825.33 36556.93 3315.71 o 13 8 0 7930.20 5516.74 2256.20 o 14 8 0 2203.06 735.50 1217.81 o 15 8 0 380.12 440.56 1097.95 o 16 8 0 1182.54 778.66 1208.16 o 17 8 0 1208.37 255.16 1235.73 o 18 8 0 1041.85 1169.39 1214.44 o 19 8 0 12761.35 10298.67 3358.19 o 1 9 0 32303.61 28995.61 2478.12 o 2 9 0 15814.09 14434.16 1959.31 o 3 9 0 33.74 1153.30 1502.65 o 4 9 0 5072.54 3619.00 1564.80 o 5 9 0 24041.27 22985.88 2674.14 o 6 9 0 55955.67 57027.30 3298.70 o 7 9 0 41506.96 48852.96 3273.62 o 8 9 0 637.24 923.45 1078.33 o 9 9 0 15342.48 9830.91 2732.43 o 10 9 0 17383.77 18023.81 3023.96 o 11 9 0 952.12 79.09 1182.67 o 12 9 0 32324.68 31398.50 3294.14 o 13 9 0 36138.75 34769.70 4236.17 o 14 9 0 6318.42 5292.71 1988.95 o 15 9 0 4028.04 4524.90 1754.84 o 16 9 0 4174.71 2101.07 1351.16 o 17 9 0 2727.52 1659.54 1349.62 o 18 9 0 11.82 -813.61 813.61 o 19 9 0 9.83 1438.42 1087.47 o 0 10 0 26640.62 27219.85 3252.56 o 1 10 0 30246.35 28352.48 2781.04 o 2 10 0 2388.12 1324.03 2801.44 o 3 10 0 19117.85 19254.61 2399.64 o 4 10 0 34245.33 36126.61 2779.32 o 5 10 0 32.75 529.09 1093.71 o 6 10 0 11389.54 10671.22 2555.36 o 7 10 0 34456.65 33102.93 4275.09 o 8 10 0 25.20 179.46 916.68 o 9 10 0 4367.28 3671.55 1732.17 o 10 10 0 1391.46 -233.50 1016.72 o 11 10 0 69.91 -427.63 805.94 o 12 10 0 2803.15 -92.11 1055.21 o 13 10 0 2480.87 1932.62 1919.28 o 14 10 0 3627.08 3766.07 1926.86 o 15 10 0 1413.68 368.44 1873.07 o 16 10 0 5574.84 2687.03 1602.93 o 17 10 0 152.02 -448.90 1050.92 o 18 10 0 6009.67 4134.88 2336.60 o 1 11 0 547.57 640.38 1254.44 o 2 11 0 20856.13 18434.55 2193.17 o 3 11 0 12201.90 14337.58 4572.97 o 4 11 0 9206.63 8539.81 2616.43 o 5 11 0 9683.73 5994.95 3765.55 o 6 11 0 39977.06 44147.27 3329.73 o 7 11 0 19718.70 18630.29 3176.27 o 8 11 0 574.50 -460.34 1251.34 o 9 11 0 1491.60 553.38 1113.07 o 10 11 0 10194.40 10437.04 3126.20 o 11 11 0 1433.11 65.75 1038.18 o 12 11 0 10350.65 9853.07 5773.74 o 13 11 0 1567.93 659.84 1144.28 o 14 11 0 1396.16 185.39 1123.81 o 15 11 0 12463.07 8410.51 2616.89 o 16 11 0 7104.14 4759.88 1880.16 o 17 11 0 425.13 -539.76 1501.28 o 18 11 0 2780.34 3029.63 1442.16 o 0 12 0 21590.06 24466.97 3648.83 o 1 12 0 71454.98 80612.91 3836.88 o 2 12 0 31423.06 29691.25 3319.59 o 3 12 0 32613.06 32783.96 3405.98 o 4 12 0 126068.38 137779.44 5075.87 o 5 12 0 1061.63 -176.39 1005.29 o 6 12 0 21952.24 23398.18 2755.47 o 7 12 0 32218.88 31267.54 3391.46 o 8 12 0 4273.97 1826.41 2980.77 o 9 12 0 15951.07 20517.30 2935.78 o 10 12 0 70.94 -279.66 1000.56 o 11 12 0 654.77 1447.08 1210.34 o 12 12 0 62.37 1164.36 1368.94 o 13 12 0 11113.80 10341.85 2977.38 o 14 12 0 1367.55 1431.23 1113.63 o 15 12 0 8072.68 4754.43 2274.32 o 16 12 0 8230.55 6513.67 2605.66 o 17 12 0 46.58 -859.91 859.91 o 1 13 0 22.13 -903.91 903.91 o 2 13 0 79.84 292.62 1013.96 o 3 13 0 23.25 1364.83 1148.81 o 4 13 0 5251.20 3230.48 1759.58 o 5 13 0 12596.04 10709.38 2659.47 o 6 13 0 23.19 338.77 957.90 o 7 13 0 11388.37 8519.45 2228.16 o 8 13 0 661.19 -500.27 1029.88 o 9 13 0 212.63 910.23 984.40 o 10 13 0 6241.87 4990.27 2876.29 o 11 13 0 2746.75 -58.71 1057.14 o 12 13 0 10026.82 10808.32 2715.93 o 13 13 0 2731.04 -133.02 2307.42 o 14 13 0 2790.08 1757.80 1437.10 o 15 13 0 2188.75 -75.16 1359.77 o 16 13 0 730.11 -511.48 1007.36 o 0 14 0 25982.82 21213.67 4108.24 o 1 14 0 306.75 1367.66 1048.83 o 2 14 0 21272.13 22316.21 3227.68 o 3 14 0 42091.36 46592.16 3603.41 o 4 14 0 7352.91 11852.00 4821.57 o 5 14 0 22219.64 21974.86 3025.73 o 6 14 0 945.39 576.43 1083.79 o 7 14 0 1375.46 1348.22 1362.03 o 8 14 0 328.10 -403.89 913.60 o 9 14 0 484.81 -494.93 987.40 o 10 14 0 2570.08 3077.80 1426.59 o 11 14 0 407.60 232.16 975.98 o 12 14 0 1000.62 877.15 1221.39 o 13 14 0 485.59 -972.67 1163.22 o 14 14 0 5901.92 4658.07 1901.81 o 15 14 0 4626.77 2691.27 1690.20 o 16 14 0 384.57 87.79 1108.54 o 1 15 0 3194.86 2383.58 1394.70 o 2 15 0 15170.02 22905.64 2716.60 o 3 15 0 6096.73 5005.90 2011.65 o 4 15 0 28.97 -867.28 1794.99 o 5 15 0 20.16 168.20 972.75 o 6 15 0 20419.23 26054.39 4062.72 o 7 15 0 6909.58 8395.34 1944.53 o 8 15 0 703.07 -650.48 745.16 o 9 15 0 1322.34 1022.24 1199.49 o 10 15 0 5198.26 2174.40 2008.05 o 11 15 0 8279.93 8663.40 2592.10 o 12 15 0 38.04 1066.41 1508.79 o 13 15 0 2287.87 357.03 1136.47 o 14 15 0 4199.85 2968.72 1678.58 o 15 15 0 5308.65 3697.66 1651.02 o 0 16 0 107.25 -1151.09 1151.09 o 1 16 0 6275.97 2951.38 1904.13 o 2 16 0 1572.29 589.27 1296.91 o 3 16 0 6630.14 4595.56 2222.60 o 4 16 0 554.80 1025.15 1189.12 o 5 16 0 18558.42 19042.06 5641.41 o 6 16 0 1745.98 1736.69 1356.92 o 7 16 0 2482.17 1110.00 1043.75 o 8 16 0 2029.81 1680.83 1360.59 o 9 16 0 1621.52 1049.90 1310.66 o 10 16 0 3931.27 1133.74 2233.53 o 11 16 0 966.53 950.34 997.60 o 12 16 0 47.75 392.83 931.95 o 13 16 0 3229.20 176.82 1246.86 o 1 17 0 2962.94 2628.27 1437.58 o 2 17 0 2499.81 2986.93 2278.01 o 3 17 0 21.04 550.59 1069.04 o 4 17 0 2391.42 821.15 1913.91 o 5 17 0 5.80 258.88 1091.67 o 6 17 0 1752.87 1719.68 2199.12 o 7 17 0 3136.25 1196.63 1472.25 o 8 17 0 9338.03 7959.14 3016.16 o 9 17 0 6621.56 7518.13 2952.07 o 10 17 0 3878.86 7955.89 2109.60 o 11 17 0 2053.03 1702.71 1410.42 o 12 17 0 21.64 -327.01 1063.90 o 0 18 0 48651.22 53629.20 6847.51 o 1 18 0 7016.45 6043.61 2361.28 o 2 18 0 2449.04 -504.37 1153.72 o 3 18 0 6207.94 4598.60 2048.63 o 4 18 0 464.19 804.22 1431.73 o 5 18 0 1440.03 1441.82 1254.19 o 6 18 0 2206.67 509.87 942.10 o 7 18 0 8063.47 7557.82 2046.29 o 8 18 0 8802.53 7421.21 2877.69 o 9 18 0 2889.63 3447.20 1718.97 o 10 18 0 443.83 -157.75 1887.99 o 11 18 0 419.03 -230.42 979.01 o 1 19 0 17007.67 18850.15 3952.85 o 2 19 0 157.63 -521.76 1016.67 o 3 19 0 6192.68 3992.89 1990.54 o 4 19 0 409.74 -559.05 1104.99 o 5 19 0 541.36 525.83 1252.85 o 6 19 0 1268.46 1703.02 1420.47 o 7 19 0 63.21 -387.45 957.83 o 8 19 0 20737.88 27342.42 7110.20 o 9 19 0 9284.95 9442.30 2557.84 o 0 20 0 52518.45 57735.95 6424.88 o 1 20 0 4269.21 3030.64 1778.95 o 2 20 0 1807.18 213.22 2029.30 o 3 20 0 3682.24 1757.73 1380.11 o 4 20 0 139.19 -791.93 791.93 o 5 20 0 934.66 561.53 1291.93 o 6 20 0 2160.12 1278.32 1393.94 o -21 1 1 2655.47 1001.77 1654.77 o -20 1 1 2295.02 -1047.18 1047.18 o -19 1 1 723.36 -1276.81 1276.81 o -18 1 1 7603.82 7334.67 3146.20 o -17 1 1 422.56 985.72 1513.83 o -16 1 1 8562.44 5197.59 3239.24 o -15 1 1 8.06 -444.34 1000.75 o -14 1 1 2100.10 2084.38 1546.99 o -13 1 1 16476.00 13708.32 2719.52 o -12 1 1 1287.43 1109.33 1293.08 o -11 1 1 43213.66 42900.08 3710.02 o -10 1 1 41598.78 41507.34 3307.23 o -9 1 1 970.01 -594.25 1047.56 o -8 1 1 38728.91 36980.31 2950.92 o -7 1 1 5493.71 3735.51 2118.16 o -6 1 1 8734.97 7700.45 2055.42 o -5 1 1 19097.51 18098.07 1926.34 o -4 1 1 19585.07 17464.18 2079.22 o -3 1 1 140808.45 126952.73 3096.86 o -2 1 1 1969.76 1865.95 860.06 o 2 1 1 5468.98 6168.45 1201.60 o 3 1 1 439.32 81.78 1591.39 o 4 1 1 40526.63 42622.29 2476.10 o 5 1 1 35570.76 38963.04 2732.66 o 6 1 1 64023.92 68917.02 3624.07 o 7 1 1 7198.30 6451.25 1895.89 o 8 1 1 5860.25 7347.61 2078.68 o 9 1 1 73353.95 77355.70 4543.39 o 10 1 1 4799.72 718.38 1407.12 o 11 1 1 25188.95 22919.69 3435.13 o 12 1 1 3322.83 1992.98 1936.78 o 13 1 1 88.43 -377.75 968.03 o 14 1 1 26956.11 29852.52 4902.69 o 15 1 1 414.40 219.89 1233.47 o 16 1 1 5697.29 4005.80 3075.26 o 17 1 1 6374.97 5953.29 2669.55 o 18 1 1 1435.43 1580.16 1984.79 o 19 1 1 4404.44 1825.48 1973.59 o 20 1 1 27.52 1975.07 1730.51 o 21 1 1 310.18 68.69 1369.03 o -21 2 1 1830.66 783.05 1795.33 o -20 2 1 22.27 1940.01 1534.07 o -19 2 1 21404.62 30442.66 5396.96 o -18 2 1 536.06 -1268.89 1360.44 o -17 2 1 1673.75 -1045.75 1045.75 o -16 2 1 686.80 2234.98 1901.85 o -15 2 1 5355.94 4444.80 2696.64 o -14 2 1 18355.12 22931.10 3657.59 o -13 2 1 73.58 -205.88 1347.27 o -12 2 1 2317.75 2332.07 1691.78 o -11 2 1 22153.91 14871.95 3364.65 o -10 2 1 103910.45 106032.07 5190.56 o -9 2 1 90.78 450.35 893.52 o -8 2 1 25373.14 23233.37 3259.07 o -7 2 1 47248.09 45547.64 2994.99 o -6 2 1 10001.86 11120.01 1790.26 o -5 2 1 58122.82 54458.80 2937.65 o -4 2 1 86.86 -1448.53 1448.53 o -3 2 1 29286.55 29450.60 1884.61 o -2 2 1 243408.59 233848.72 3847.37 o -1 2 1 2394.52 1589.99 877.41 o 0 2 1 172205.28 163993.45 3091.98 o 1 2 1 120254.36 114313.98 3004.15 o 2 2 1 7868.51 8045.39 1522.66 o 3 2 1 72278.14 68713.46 3493.52 o 4 2 1 8128.76 7603.77 1786.81 o 5 2 1 33127.92 36270.16 2780.00 o 6 2 1 93910.17 90642.77 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