#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/88/2218840.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_2218840_Fobs loop_ _publ_author_name 'Caldwell, Allison M.' 'Tanski, Joseph M.' _publ_section_title ; Tetraiodido[methylenebis(diphenylphosphine oxide)-\k^2^O:O']tin(IV) chloroform solvate ; _journal_coeditor_code WM2178 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m894 _journal_volume 64 _journal_year 2008 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 108.479 _cell_angle_gamma 90.000 _cell_length_a 9.2639 _cell_length_b 19.0609 _cell_length_c 10.1991 _exptl_crystal_F_000 1076.00 _reflns_d_resolution_high 0.7902 _[local]_cod_data_source_file wm2178Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' AC635Sn in P2(1)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 329.57 _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+1/2, -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 0 -24 0 3727.61 4001.99 314.78 o 1 -24 0 2488.79 2884.16 191.85 o 1 -23 0 793.18 939.65 118.61 o 2 -23 0 2013.92 2002.24 265.16 o 3 -23 0 1026.24 852.17 116.53 o 0 -22 0 321.57 375.22 134.58 o 1 -22 0 259.42 423.46 141.42 o 2 -22 0 131.29 328.80 85.75 o 3 -22 0 220.88 217.93 79.56 o 4 -22 0 3077.66 3194.56 183.90 o 1 -21 0 661.87 879.52 111.64 o 2 -21 0 439.85 326.28 81.35 o 3 -21 0 1100.96 1055.68 118.35 o 4 -21 0 304.82 123.95 70.47 o 5 -21 0 1410.91 1683.55 132.63 o 0 -20 0 2449.17 2453.20 213.27 o 1 -20 0 2217.24 2107.81 150.85 o 2 -20 0 2166.71 2316.12 151.78 o 3 -20 0 1831.67 1787.89 135.58 o 4 -20 0 792.48 849.40 103.58 o 5 -20 0 627.00 609.24 90.66 o 6 -20 0 3564.88 3827.19 189.24 o 1 -19 0 2483.56 2606.44 155.64 o 2 -19 0 5992.22 6221.27 240.72 o 3 -19 0 7956.22 7878.01 283.31 o 4 -19 0 516.68 612.44 86.87 o 5 -19 0 847.99 993.32 85.20 o 6 -19 0 656.42 683.62 76.71 o 0 -18 0 3870.76 4086.39 269.16 o 1 -18 0 783.82 913.63 104.41 o 2 -18 0 9635.47 9795.81 335.88 o 3 -18 0 11608.08 11650.87 627.84 o 4 -18 0 1671.47 1564.79 92.87 o 5 -18 0 494.36 497.86 64.22 o 6 -18 0 33.13 63.09 46.94 o 7 -18 0 711.10 642.48 77.38 o 1 -17 0 11120.31 11499.25 350.28 o 2 -17 0 6822.39 6843.58 243.67 o 3 -17 0 262.70 324.93 51.08 o 4 -17 0 206.76 247.86 49.78 o 5 -17 0 40.08 22.49 43.45 o 6 -17 0 707.50 752.06 74.03 o 7 -17 0 1822.46 1829.86 108.44 o 0 -16 0 6631.47 6363.95 328.46 o 1 -16 0 2976.72 2785.73 147.47 o 2 -16 0 9635.29 9711.65 232.04 o 3 -16 0 9032.68 8828.41 216.54 o 4 -16 0 746.82 767.96 68.00 o 5 -16 0 302.42 285.20 52.97 o 6 -16 0 1135.32 1289.23 94.51 o 7 -16 0 1524.20 1575.16 99.46 o 8 -16 0 766.62 751.03 99.59 o 1 -15 0 3980.52 4199.29 147.04 o 2 -15 0 9806.17 9778.85 230.53 o 3 -15 0 11400.87 11207.06 252.59 o 4 -15 0 2669.12 2509.04 107.54 o 5 -15 0 1235.14 1241.57 132.85 o 6 -15 0 334.36 398.26 58.97 o 7 -15 0 421.05 445.96 77.79 o 8 -15 0 13.64 57.57 62.66 o 0 -14 0 536.84 545.73 52.29 o 1 -14 0 3312.33 3347.64 106.97 o 2 -14 0 8585.04 8622.02 201.19 o 3 -14 0 1883.06 1942.13 130.08 o 4 -14 0 404.18 460.76 52.69 o 5 -14 0 4365.83 4509.90 152.11 o 6 -14 0 12024.13 12626.10 287.51 o 7 -14 0 6370.45 6487.22 235.76 o 8 -14 0 404.66 438.04 83.05 o 9 -14 0 1005.45 1128.61 124.93 o 1 -13 0 1950.49 1948.27 60.11 o 2 -13 0 3306.53 3095.73 103.30 o 3 -13 0 6999.31 6721.71 168.18 o 4 -13 0 666.49 601.93 63.92 o 5 -13 0 2632.22 2617.02 88.34 o 6 -13 0 2278.12 2438.86 108.83 o 7 -13 0 9692.55 9683.97 299.79 o 8 -13 0 3500.68 3778.01 289.11 o 9 -13 0 514.20 594.29 95.54 o 0 -12 0 541.49 461.33 44.89 o 1 -12 0 3886.52 3803.55 94.65 o 2 -12 0 6341.48 6223.64 121.54 o 3 -12 0 524.67 525.42 49.35 o 4 -12 0 2883.89 2818.69 99.28 o 5 -12 0 15398.66 15484.00 274.49 o 6 -12 0 20013.64 20190.81 400.69 o 7 -12 0 5972.79 5852.49 320.48 o 8 -12 0 866.96 810.60 148.83 o 9 -12 0 569.77 444.89 115.19 o 1 -11 0 1636.28 1589.45 49.74 o 2 -11 0 7944.53 8024.76 146.24 o 3 -11 0 5909.16 5668.01 145.52 o 4 -11 0 521.86 437.35 38.88 o 5 -11 0 10747.94 10537.48 199.26 o 6 -11 0 4637.77 4482.00 140.76 o 7 -11 0 2783.74 2740.19 149.40 o 8 -11 0 3966.17 3886.22 183.46 o 9 -11 0 173.41 141.90 66.57 o 0 -10 0 44755.55 45453.85 919.03 o 1 -10 0 39035.39 39167.23 575.47 o 2 -10 0 16283.04 15373.55 301.53 o 3 -10 0 4009.35 3888.60 111.68 o 4 -10 0 3380.67 3230.34 87.38 o 5 -10 0 3334.09 3206.64 121.20 o 6 -10 0 1654.84 1700.92 82.88 o 7 -10 0 2221.67 2075.92 123.55 o 8 -10 0 1102.53 1127.99 106.05 o 9 -10 0 470.56 381.88 85.08 o 10 -10 0 1845.44 1960.99 151.69 o 1 -9 0 41676.53 41327.81 599.25 o 2 -9 0 25114.19 24636.25 474.84 o 3 -9 0 155.64 181.81 29.77 o 4 -9 0 1465.74 1470.61 62.39 o 5 -9 0 2654.56 2684.38 78.26 o 6 -9 0 751.36 781.70 62.53 o 7 -9 0 2107.58 2343.02 129.39 o 8 -9 0 1714.66 1581.51 119.28 o 9 -9 0 1213.11 1118.46 206.43 o 10 -9 0 1716.01 1847.26 139.81 o 0 -8 0 35233.98 35228.93 722.04 o 1 -8 0 16200.96 16475.29 254.28 o 2 -8 0 15523.05 15045.44 284.69 o 3 -8 0 30363.26 29949.14 639.52 o 4 -8 0 8237.39 8041.02 173.96 o 5 -8 0 1474.04 1449.04 56.64 o 6 -8 0 4108.81 4105.80 190.60 o 7 -8 0 223.03 245.65 58.26 o 8 -8 0 1208.68 1015.33 152.26 o 9 -8 0 217.74 306.12 76.41 o 10 -8 0 1539.63 1270.88 120.32 o 1 -7 0 7597.50 7558.79 158.62 o 2 -7 0 23199.59 23201.03 498.07 o 3 -7 0 33874.55 33810.16 688.77 o 4 -7 0 5209.41 5047.85 123.71 o 5 -7 0 10942.69 11034.42 225.15 o 6 -7 0 325.22 390.71 44.34 o 7 -7 0 2887.56 2712.02 135.58 o 8 -7 0 2973.67 2903.00 150.39 o 9 -7 0 4051.20 3959.98 184.61 o 10 -7 0 1201.07 1248.98 117.53 o 0 -6 0 11110.00 11075.45 240.55 o 1 -6 0 6385.15 6700.29 206.43 o 2 -6 0 4957.48 4547.12 126.11 o 3 -6 0 13494.05 13740.07 256.98 o 4 -6 0 24075.62 23231.21 412.83 o 5 -6 0 1298.86 1247.12 122.98 o 6 -6 0 5784.17 6048.09 152.00 o 7 -6 0 1953.01 1870.47 113.85 o 8 -6 0 6128.01 5596.22 243.50 o 9 -6 0 6404.50 6124.54 229.80 o 10 -6 0 3778.44 3953.31 189.76 o 1 -5 0 5622.74 5810.85 133.80 o 2 -5 0 6736.51 6848.47 234.37 o 3 -5 0 21398.21 21165.15 367.29 o 4 -5 0 29441.59 29537.80 513.09 o 5 -5 0 25950.57 25578.05 379.73 o 6 -5 0 505.43 578.82 48.61 o 7 -5 0 3136.30 3153.15 108.07 o 8 -5 0 3897.27 3921.28 209.28 o 9 -5 0 1423.42 1440.46 114.92 o 10 -5 0 1584.18 1629.61 165.37 o 0 -4 0 1606.12 1803.77 59.63 o 1 -4 0 3657.52 3852.40 146.55 o 2 -4 0 641.22 643.09 38.41 o 3 -4 0 7289.98 7286.33 117.61 o 4 -4 0 13724.74 13723.22 212.88 o 5 -4 0 9159.30 9083.23 157.41 o 6 -4 0 9420.36 9225.98 196.51 o 7 -4 0 1256.74 1308.27 71.91 o 8 -4 0 20249.93 20504.87 513.45 o 9 -4 0 9909.39 9818.24 302.37 o 10 -4 0 1188.75 1269.07 109.27 o 1 -3 0 4430.83 4680.56 122.74 o 2 -3 0 13617.36 14223.96 307.46 o 3 -3 0 8068.22 8002.21 131.27 o 4 -3 0 11609.08 11897.75 193.42 o 5 -3 0 27134.88 26631.99 391.45 o 6 -3 0 11851.65 11971.59 241.23 o 7 -3 0 7185.39 6803.25 169.70 o 8 -3 0 7582.13 7365.65 326.42 o 9 -3 0 1170.13 1231.73 102.41 o 10 -3 0 486.81 537.60 201.87 o 11 -3 0 822.31 791.08 100.72 o 0 -2 0 60982.17 69361.34 1827.07 o 1 -2 0 6873.40 7381.07 221.83 o 2 -2 0 20632.65 21634.80 304.59 o 3 -2 0 15950.11 16532.50 244.29 o 4 -2 0 28951.05 28008.57 408.05 o 5 -2 0 18090.24 17965.43 281.18 o 6 -2 0 2902.04 3004.01 98.75 o 7 -2 0 603.32 638.18 55.47 o 8 -2 0 4203.80 4404.07 135.07 o 9 -2 0 962.68 1034.33 73.03 o 10 -2 0 2097.72 2026.13 132.26 o 11 -2 0 1130.80 1155.80 192.74 o 1 -1 0 20147.76 21268.04 349.72 o 2 -1 0 20076.19 21199.38 496.81 o 3 -1 0 15451.47 15225.38 229.81 o 4 -1 0 5303.59 5046.77 96.97 o 5 -1 0 15590.74 16116.18 255.46 o 6 -1 0 4104.67 4093.30 116.26 o 7 -1 0 225.93 220.00 39.59 o 8 -1 0 4344.13 4487.48 137.27 o 9 -1 0 5094.38 4970.39 150.40 o 10 -1 0 1444.42 1332.56 112.90 o 11 -1 0 908.52 991.78 107.84 o 1 0 0 19925.25 20597.69 327.50 o 2 0 0 2.46 40.79 15.55 o 3 0 0 4147.37 4240.04 81.51 o 4 0 0 159.12 142.70 23.38 o 5 0 0 257.44 280.43 26.89 o 6 0 0 834.56 876.69 77.34 o 7 0 0 406.54 351.03 45.12 o 8 0 0 394.39 523.76 54.24 o 9 0 0 233.28 296.52 78.76 o 10 0 0 367.67 375.78 56.06 o 11 0 0 1804.67 1862.24 133.62 o 1 1 0 20857.17 21797.96 301.80 o 2 1 0 20657.34 21070.44 303.97 o 3 1 0 15613.72 15112.32 231.29 o 4 1 0 5381.14 5052.24 99.96 o 5 1 0 15584.06 16207.08 257.56 o 6 1 0 4094.12 4102.83 142.36 o 7 1 0 191.10 245.61 40.69 o 8 1 0 4375.02 4463.95 232.27 o 9 1 0 4962.18 4810.94 150.36 o 10 1 0 1500.23 1592.52 92.54 o 11 1 0 944.45 986.30 112.91 o 0 2 0 62685.00 64640.09 1049.26 o 1 2 0 6385.62 6585.21 87.64 o 2 2 0 20263.88 21193.60 307.30 o 3 2 0 15878.41 16122.56 246.61 o 4 2 0 29216.81 27773.77 450.39 o 5 2 0 18229.70 18149.47 284.83 o 6 2 0 2852.47 2991.00 100.16 o 7 2 0 662.79 658.49 59.16 o 8 2 0 4217.62 4363.17 219.00 o 9 2 0 914.00 847.52 70.68 o 10 2 0 2274.02 2336.47 107.26 o 11 2 0 1166.45 1101.00 86.05 o 1 3 0 5397.48 5638.97 81.10 o 2 3 0 14062.45 14571.40 297.82 o 3 3 0 8212.50 8280.84 137.08 o 4 3 0 11507.22 11589.04 192.98 o 5 3 0 26095.09 25766.92 395.86 o 6 3 0 11942.03 11735.87 228.05 o 7 3 0 7323.18 6996.19 174.34 o 8 3 0 7733.33 7374.81 188.55 o 9 3 0 1199.60 1294.23 81.28 o 10 3 0 485.97 498.63 76.29 o 11 3 0 858.87 848.70 80.19 o 0 4 0 2083.55 2239.03 58.26 o 1 4 0 3651.33 3797.92 53.45 o 2 4 0 574.61 614.23 22.75 o 3 4 0 6770.27 6779.73 121.99 o 4 4 0 13687.30 13459.68 218.69 o 5 4 0 9280.26 9176.84 165.23 o 6 4 0 9382.63 8753.85 242.81 o 7 4 0 1284.57 1294.27 109.90 o 8 4 0 20575.91 19873.86 391.60 o 9 4 0 9899.06 9850.86 237.15 o 10 4 0 1214.86 1438.06 103.74 o 1 5 0 5174.35 5180.66 71.29 o 2 5 0 7323.69 7273.79 106.85 o 3 5 0 21445.06 21191.39 275.22 o 4 5 0 29972.40 30231.77 387.50 o 5 5 0 25324.43 25151.46 387.33 o 6 5 0 544.41 575.84 54.14 o 7 5 0 3502.66 3294.70 113.53 o 8 5 0 3649.67 3534.81 257.63 o 9 5 0 1389.13 1430.27 86.71 o 10 5 0 1554.35 1660.04 99.40 o 0 6 0 10489.76 10694.51 226.54 o 1 6 0 6277.67 6597.96 87.04 o 2 6 0 5102.12 4770.76 68.36 o 3 6 0 14025.56 14200.83 191.21 o 4 6 0 24241.35 23672.31 346.23 o 5 6 0 1256.05 1248.57 44.25 o 6 6 0 5831.02 5674.55 122.35 o 7 6 0 1883.37 1821.59 85.85 o 8 6 0 6155.78 6038.09 203.30 o 9 6 0 6357.86 6056.49 176.75 o 10 6 0 3627.88 4169.08 188.29 o 1 7 0 7952.84 8008.55 124.19 o 2 7 0 23301.88 23597.20 304.26 o 3 7 0 32813.27 32539.22 381.18 o 4 7 0 5514.30 5556.23 147.33 o 5 7 0 10909.62 11158.81 168.59 o 6 7 0 228.59 289.72 40.84 o 7 7 0 2927.59 2691.67 126.64 o 8 7 0 2753.83 2537.17 107.01 o 9 7 0 4028.52 4086.77 179.49 o 10 7 0 1252.13 1350.44 234.37 o 0 8 0 34716.10 34978.55 755.01 o 1 8 0 16009.80 16475.99 240.60 o 2 8 0 15205.48 15069.71 198.92 o 3 8 0 30424.37 30288.85 354.11 o 4 8 0 8414.32 8224.09 126.36 o 5 8 0 1354.70 1341.63 63.40 o 6 8 0 4093.05 4007.01 220.54 o 7 8 0 285.29 298.92 50.78 o 8 8 0 1145.79 912.59 92.56 o 9 8 0 184.71 174.21 71.28 o 10 8 0 1528.53 1644.81 127.82 o 1 9 0 41132.06 41059.33 567.31 o 2 9 0 25488.15 25602.73 321.00 o 3 9 0 155.51 172.07 15.28 o 4 9 0 1496.38 1478.20 45.96 o 5 9 0 2291.23 2366.18 84.06 o 6 9 0 902.56 899.63 61.64 o 7 9 0 2233.29 2217.08 160.81 o 8 9 0 1673.35 1813.27 118.13 o 9 9 0 1324.53 1145.77 106.03 o 10 9 0 1656.12 1520.37 126.50 o 0 10 0 43720.71 43923.55 1747.80 o 1 10 0 39036.08 39428.49 545.78 o 2 10 0 16612.86 15861.03 210.78 o 3 10 0 4177.67 4189.25 72.26 o 4 10 0 3340.21 3182.16 89.87 o 5 10 0 3262.00 3080.44 95.79 o 6 10 0 1653.70 1544.99 99.91 o 7 10 0 2224.71 2008.73 155.11 o 8 10 0 1103.31 970.05 95.97 o 9 10 0 496.46 443.36 79.03 o 10 10 0 1904.06 2267.37 152.25 o 1 11 0 1463.31 1396.39 46.71 o 2 11 0 8011.28 8174.19 139.22 o 3 11 0 6218.92 6040.92 114.33 o 4 11 0 534.94 522.74 36.49 o 5 11 0 10495.59 10041.66 275.77 o 6 11 0 4881.70 4450.16 171.20 o 7 11 0 2640.94 2289.24 128.40 o 8 11 0 4017.84 4008.18 230.38 o 9 11 0 170.18 114.59 63.27 o 0 12 0 632.95 526.64 48.88 o 1 12 0 4086.57 3723.72 82.37 o 2 12 0 6275.73 6128.15 115.36 o 3 12 0 515.29 503.34 61.92 o 4 12 0 2833.69 2730.09 95.45 o 5 12 0 15686.30 15240.40 400.88 o 6 12 0 19745.40 19143.08 473.38 o 7 12 0 5922.92 6187.11 218.92 o 8 12 0 777.08 838.51 95.00 o 9 12 0 616.94 544.70 87.89 o 1 13 0 2159.14 2188.41 61.33 o 2 13 0 3517.05 3545.03 178.05 o 3 13 0 6587.12 6553.98 158.65 o 4 13 0 717.68 646.85 56.53 o 5 13 0 2554.26 2485.48 176.78 o 6 13 0 2178.47 2185.38 183.62 o 7 13 0 9791.35 9606.21 295.88 o 8 13 0 3585.05 3726.75 180.21 o 9 13 0 505.57 483.38 88.96 o 0 14 0 732.37 727.66 57.80 o 1 14 0 3151.48 3272.44 117.21 o 2 14 0 8685.67 8466.34 187.60 o 3 14 0 1787.88 1675.38 77.38 o 4 14 0 425.08 330.17 43.77 o 5 14 0 4544.49 4618.42 170.88 o 6 14 0 12084.82 12021.53 338.52 o 7 14 0 6335.65 6144.19 227.31 o 8 14 0 363.80 337.80 74.14 o 9 14 0 1049.55 1166.24 189.89 o 1 15 0 3915.72 3892.10 181.28 o 2 15 0 10293.63 10504.77 219.83 o 3 15 0 11251.79 11116.00 238.58 o 4 15 0 2623.51 2482.13 104.67 o 5 15 0 1254.10 1194.94 93.17 o 6 15 0 341.02 400.39 70.97 o 7 15 0 431.37 337.46 83.26 o 8 15 0 11.16 21.15 53.62 o 0 16 0 6862.43 6605.91 189.32 o 1 16 0 2742.08 2739.32 96.06 o 2 16 0 9782.85 10144.54 315.62 o 3 16 0 9106.04 8832.20 356.50 o 4 16 0 721.25 650.82 61.81 o 5 16 0 318.80 259.20 59.17 o 6 16 0 1185.42 1097.56 98.31 o 7 16 0 1609.40 1658.71 121.03 o 8 16 0 714.79 818.04 102.63 o 1 17 0 11414.17 11630.97 245.33 o 2 17 0 6463.39 6437.10 167.65 o 3 17 0 255.62 239.48 44.74 o 4 17 0 199.50 240.71 72.86 o 5 17 0 43.49 146.11 61.02 o 6 17 0 745.24 735.90 86.03 o 7 17 0 1689.46 1851.20 244.07 o 0 18 0 3757.48 3744.24 213.27 o 1 18 0 802.32 864.51 78.55 o 2 18 0 9494.20 9497.86 352.38 o 3 18 0 11555.88 11429.63 256.14 o 4 18 0 1717.44 1594.84 85.98 o 5 18 0 482.40 408.30 70.62 o 6 18 0 40.40 43.79 52.12 o 7 18 0 694.37 670.04 91.42 o 1 19 0 2527.09 2457.68 125.80 o 2 19 0 5863.36 5902.65 230.52 o 3 19 0 8042.45 8267.06 206.70 o 4 19 0 521.76 514.54 64.02 o 5 19 0 755.38 774.10 90.26 o 6 19 0 667.66 653.47 89.31 o 0 20 0 2165.55 2008.41 168.79 o 1 20 0 2341.54 2270.67 123.63 o 2 20 0 1999.30 1906.94 113.70 o 3 20 0 1869.75 1823.74 94.34 o 4 20 0 844.48 1009.06 185.15 o 5 20 0 622.56 595.76 83.23 o 6 20 0 3571.12 3471.75 176.52 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