#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2202371.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_2202371_Fobs loop_ _publ_author_name 'Amini, Mostafa M.' 'Abadi, Shabnam Hossein' 'Mirzaee, Mahdi' 'Yang, Shi-Yao' 'Ng, Seik Weng' _publ_section_title ; Bis[1,1,3,3-tetramethyl-1,3-bis(dichloroacetato)distannoxane] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m876 _journal_page_last m877 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.674 _cell_angle_beta 113.129 _cell_angle_gamma 96.651 _cell_length_a 8.9026 _cell_length_b 9.6131 _cell_length_c 11.2145 _exptl_crystal_F_000 540.00 _reflns_d_resolution_high 0.7491 _[local]_cod_data_source_file bt6341Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 277.03 _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' 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 1481.58 1464.80 64.34 o 2 0 0 1163.05 1259.94 40.68 o 3 0 0 9570.79 9274.78 160.46 o 4 0 0 246.44 261.28 24.49 o 5 0 0 520.27 457.24 35.71 o 6 0 0 2160.74 1873.66 126.66 o 7 0 0 27.88 54.68 29.79 o 8 0 0 635.55 598.34 84.77 o 9 0 0 76.89 166.43 51.73 o 10 0 0 0.08 68.77 43.97 o -10 1 0 438.28 442.42 74.36 o -9 1 0 293.74 361.09 75.73 o -8 1 0 72.15 114.11 42.02 o -7 1 0 2886.90 2852.13 171.61 o -6 1 0 3679.86 3189.56 160.00 o -5 1 0 191.94 205.21 29.88 o -4 1 0 3628.88 3650.25 92.52 o -3 1 0 8225.02 8103.78 118.58 o -2 1 0 3783.45 4027.46 81.20 o -1 1 0 4328.55 4716.03 68.01 o 0 1 0 5549.89 6231.59 104.66 o 1 1 0 16.77 45.36 10.91 o 2 1 0 98.85 137.84 16.55 o 3 1 0 3843.36 4032.89 140.61 o 4 1 0 341.26 427.74 34.04 o 5 1 0 1645.21 1618.53 72.07 o 6 1 0 385.49 384.06 57.95 o 7 1 0 573.18 611.88 88.10 o 8 1 0 1654.13 1455.11 129.91 o 9 1 0 44.34 57.88 32.09 o 10 1 0 132.35 193.54 56.49 o -10 2 0 877.32 1087.36 132.49 o -9 2 0 424.32 459.20 74.87 o -8 2 0 19.19 39.59 23.95 o -7 2 0 2794.01 2520.17 157.56 o -6 2 0 2836.12 2753.99 153.63 o -5 2 0 3330.05 2991.85 93.75 o -4 2 0 5931.08 5832.74 259.28 o -3 2 0 1802.98 1855.19 62.92 o -2 2 0 43.20 86.56 14.52 o -1 2 0 137.52 156.15 16.51 o 0 2 0 1853.37 1891.53 50.10 o 1 2 0 29453.76 28947.41 349.11 o 2 2 0 4923.66 5059.91 101.29 o 3 2 0 468.40 512.83 37.56 o 4 2 0 18562.79 20041.50 342.47 o 5 2 0 4500.40 3730.51 255.03 o 6 2 0 96.71 109.50 37.10 o 7 2 0 2914.58 3008.23 184.09 o 8 2 0 692.74 668.20 118.26 o 9 2 0 99.09 152.03 58.45 o 10 2 0 202.89 346.20 82.41 o -10 3 0 552.96 581.53 89.08 o -9 3 0 23.88 57.88 26.69 o -8 3 0 5.18 45.33 25.73 o -7 3 0 1594.97 1424.49 121.84 o -6 3 0 396.26 383.19 58.94 o -5 3 0 2019.67 1954.39 80.58 o -4 3 0 235.88 263.03 27.75 o -3 3 0 1200.69 1288.88 59.09 o -2 3 0 7827.09 8263.56 133.45 o -1 3 0 40.27 56.93 12.17 o 0 3 0 3274.41 3474.90 81.34 o 1 3 0 20291.23 21194.79 293.99 o 2 3 0 2234.44 2440.75 79.90 o 3 3 0 121.43 138.83 23.83 o 4 3 0 6224.12 6117.98 148.73 o 5 3 0 1172.11 1124.90 69.13 o 6 3 0 529.40 418.39 62.37 o 7 3 0 1321.13 1250.73 118.99 o 8 3 0 0.72 29.62 19.03 o 9 3 0 301.38 329.30 72.20 o -10 4 0 120.18 184.66 56.02 o -9 4 0 442.56 540.55 81.01 o -8 4 0 294.23 417.92 72.38 o -7 4 0 2.39 34.32 23.00 o -6 4 0 2460.33 2411.33 196.60 o -5 4 0 10707.21 11055.09 208.61 o -4 4 0 0.48 22.16 10.42 o -3 4 0 5362.25 5343.07 124.08 o -2 4 0 8434.15 9523.26 156.38 o -1 4 0 2700.76 2785.45 89.95 o 0 4 0 2119.14 2203.72 72.88 o 1 4 0 13236.23 14313.98 401.74 o 2 4 0 3004.70 3303.44 106.53 o 3 4 0 67.84 121.63 25.16 o 4 4 0 3918.10 3776.46 126.58 o 5 4 0 643.20 646.18 55.11 o 6 4 0 938.70 824.94 90.31 o 7 4 0 11.91 29.74 24.07 o 8 4 0 793.87 834.15 103.53 o 9 4 0 695.53 728.47 150.38 o -10 5 0 7.15 44.71 30.72 o -9 5 0 1227.99 1226.46 127.10 o -8 5 0 228.20 295.34 65.30 o -7 5 0 0.20 32.30 21.99 o -6 5 0 3125.33 2961.18 155.89 o -5 5 0 1651.84 1553.71 92.35 o -4 5 0 13.86 33.34 12.79 o -3 5 0 3496.65 3546.66 110.45 o -2 5 0 2786.68 3207.01 103.86 o -1 5 0 438.18 537.33 56.67 o 0 5 0 231.32 255.08 29.13 o 1 5 0 717.61 747.01 62.03 o 2 5 0 7649.53 7643.34 169.72 o 3 5 0 739.08 759.71 57.82 o 4 5 0 880.75 770.05 97.97 o 5 5 0 3037.77 2860.96 159.81 o 6 5 0 1782.08 1810.50 141.01 o 7 5 0 1.75 56.16 25.47 o 8 5 0 622.07 652.83 128.40 o 9 5 0 445.62 580.57 129.98 o -9 6 0 671.06 583.27 127.73 o -8 6 0 18.44 47.12 40.25 o -7 6 0 1.00 6.09 19.16 o -6 6 0 953.05 842.75 85.83 o -5 6 0 116.25 161.05 27.94 o -4 6 0 4154.27 4149.67 135.29 o -3 6 0 1.95 42.17 12.50 o -2 6 0 858.51 859.65 53.64 o -1 6 0 13864.20 14418.00 327.07 o 0 6 0 614.80 654.23 50.33 o 1 6 0 583.51 592.36 49.85 o 2 6 0 3666.07 3211.36 545.38 o 3 6 0 29.07 50.11 17.81 o 4 6 0 9.06 32.82 16.07 o 5 6 0 4241.60 4290.19 163.10 o 6 6 0 150.64 259.03 60.34 o 7 6 0 63.89 174.51 80.94 o 8 6 0 657.84 882.13 165.49 o -9 7 0 44.83 64.82 42.05 o -8 7 0 409.11 344.73 111.83 o -7 7 0 238.29 301.67 88.72 o -6 7 0 45.92 63.36 40.36 o -5 7 0 1967.45 1876.63 190.46 o -4 7 0 2415.76 2344.62 138.29 o -3 7 0 69.64 79.77 30.65 o -2 7 0 4702.87 4232.52 188.20 o -1 7 0 4015.81 2353.31 690.31 o 0 7 0 587.24 556.49 76.44 o 1 7 0 1330.34 866.78 327.43 o 2 7 0 5124.12 5235.34 167.09 o 3 7 0 116.11 112.94 29.19 o 4 7 0 50.44 94.33 27.07 o 5 7 0 873.97 960.70 80.83 o 6 7 0 381.58 438.53 98.64 o 7 7 0 353.06 391.97 93.00 o 8 7 0 0.06 -3.16 26.94 o -8 8 0 923.79 1054.94 181.05 o -7 8 0 277.61 285.55 92.44 o -6 8 0 0.99 26.38 26.60 o -5 8 0 2320.59 2126.38 149.61 o -4 8 0 843.13 795.46 87.98 o -3 8 0 75.43 114.93 39.50 o -2 8 0 1498.51 1330.51 144.97 o -1 8 0 604.73 594.94 80.12 o 0 8 0 1776.97 1761.47 130.58 o 1 8 0 21.72 45.61 25.73 o 2 8 0 7.22 23.90 18.17 o 3 8 0 3404.85 3229.37 178.77 o 4 8 0 294.55 343.23 66.72 o -8 9 0 515.80 473.81 109.46 o -7 9 0 0.86 12.40 26.27 o -6 9 0 21.03 55.46 41.15 o -5 9 0 404.51 359.09 60.75 o -4 9 0 5.33 42.97 20.57 o -3 9 0 1254.81 1104.93 118.60 o -2 9 0 48.49 68.82 29.42 o -1 9 0 319.81 322.66 63.58 o 0 9 0 2892.95 2818.87 172.07 o 1 9 0 92.56 113.40 40.95 o 2 9 0 484.76 549.29 78.04 o 3 9 0 1652.33 1558.58 134.27 o 4 9 0 221.45 262.33 82.29 o -7 10 0 230.91 219.38 86.35 o -6 10 0 307.75 388.36 109.69 o -5 10 0 5.07 40.86 25.65 o -4 10 0 671.51 696.92 95.95 o -3 10 0 886.93 959.66 116.90 o -2 10 0 84.25 195.65 53.40 o -1 10 0 1220.42 1246.74 119.36 o 0 10 0 2418.64 2739.84 294.62 o 1 10 0 130.41 122.43 43.34 o 2 10 0 383.79 391.38 66.19 o 3 10 0 966.03 879.42 144.52 o 4 10 0 223.85 325.91 93.57 o -6 11 0 161.87 215.99 84.44 o -5 11 0 74.71 114.92 40.46 o -4 11 0 1195.48 1190.62 123.50 o -3 11 0 211.01 317.60 66.26 o -2 11 0 31.20 42.56 21.36 o -1 11 0 337.19 396.88 92.44 o 0 11 0 136.01 197.76 55.08 o 1 11 0 605.16 691.84 147.00 o 2 11 0 13.03 35.29 40.36 o 3 11 0 0.07 54.34 37.31 o 4 11 0 526.35 508.42 89.62 o -5 12 0 23.79 68.43 37.31 o -4 12 0 116.58 116.17 39.59 o -3 12 0 19.71 51.52 26.92 o -2 12 0 316.76 355.95 71.72 o -1 12 0 69.23 44.32 26.47 o 0 12 0 86.50 206.07 92.21 o -1 -12 1 262.89 263.02 64.70 o 0 -12 1 13.44 32.56 21.93 o 1 -12 1 732.23 725.40 96.56 o 2 -12 1 255.45 285.21 68.15 o 3 -12 1 16.71 46.73 18.68 o 4 -12 1 108.99 169.69 49.64 o -4 -11 1 40.87 102.70 52.65 o -3 -11 1 13.05 74.74 51.52 o -2 -11 1 823.32 803.70 103.56 o -1 -11 1 0.45 19.48 15.33 o 0 -11 1 126.17 125.96 45.20 o 1 -11 1 69.87 92.56 34.48 o 2 -11 1 24.48 61.81 49.49 o 3 -11 1 979.62 933.08 116.80 o 4 -11 1 0.03 29.39 59.18 o 5 -11 1 46.57 62.37 65.61 o -4 -10 1 345.61 446.78 72.98 o -3 -10 1 222.32 301.20 66.83 o -2 -10 1 0.63 9.25 16.72 o -1 -10 1 872.06 832.61 98.13 o 0 -10 1 1328.01 1190.31 118.49 o 1 -10 1 135.81 216.43 59.77 o 2 -10 1 791.22 805.17 101.69 o 3 -10 1 1498.32 1581.14 146.48 o 4 -10 1 76.14 104.84 42.06 o 5 -10 1 406.62 454.43 71.66 o 6 -10 1 749.60 802.76 145.87 o -5 -9 1 7.25 51.07 34.95 o -4 -9 1 731.77 792.20 94.20 o -3 -9 1 514.50 448.14 70.98 o -2 -9 1 0.18 46.00 27.24 o -1 -9 1 4840.84 4471.48 221.03 o 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3188.79 3276.79 168.10 o 4 -7 1 3118.79 2954.34 158.93 o 5 -7 1 0.22 16.73 14.79 o 6 -7 1 645.13 638.17 119.50 o 7 -7 1 1560.76 1563.70 202.35 o 9 -7 1 56.30 141.37 72.15 o -9 -6 1 138.55 173.38 86.69 o -8 -6 1 192.41 249.80 61.31 o -7 -6 1 3.49 45.58 23.67 o -6 -6 1 1334.66 1183.51 109.34 o -5 -6 1 4.84 46.41 19.13 o -4 -6 1 1.33 38.46 17.43 o -3 -6 1 5800.84 4482.69 621.12 o -2 -6 1 2194.64 2127.41 104.49 o -1 -6 1 1130.60 1231.41 68.61 o 0 -6 1 11738.42 11275.71 175.88 o 1 -6 1 3767.98 3916.62 169.51 o 2 -6 1 42.16 50.58 22.86 o 3 -6 1 2015.86 1932.86 117.31 o 4 -6 1 1817.20 1740.11 117.03 o 5 -6 1 1186.77 861.69 177.10 o 6 -6 1 134.66 186.12 72.60 o 7 -6 1 69.99 100.22 57.38 o 8 -6 1 426.83 450.70 129.75 o 9 -6 1 2.05 39.46 30.32 o -9 -5 1 449.17 559.06 84.74 o -8 -5 1 4.19 27.02 21.06 o -7 -5 1 434.64 489.31 73.57 o -6 -5 1 5544.78 5333.82 235.45 o -5 -5 1 291.86 270.17 37.41 o -4 -5 1 337.17 441.91 46.15 o -3 -5 1 7317.21 7762.03 184.34 o -2 -5 1 10.83 21.02 11.33 o -1 -5 1 738.99 807.37 51.48 o 0 -5 1 8703.34 8829.80 144.02 o 1 -5 1 5.68 45.57 10.90 o 2 -5 1 1434.24 1463.80 61.79 o 3 -5 1 3705.76 3490.06 108.08 o 4 -5 1 621.15 653.52 54.04 o 5 -5 1 1565.03 1515.61 81.90 o 6 -5 1 0.10 25.36 17.89 o 7 -5 1 277.00 338.80 63.03 o 8 -5 1 2043.14 1970.94 155.06 o 9 -5 1 34.96 66.40 39.91 o -10 -4 1 499.04 524.43 117.35 o -9 -4 1 525.22 564.89 88.81 o -8 -4 1 13.73 35.14 21.68 o -7 -4 1 1048.11 1008.77 107.52 o -6 -4 1 599.83 668.84 83.56 o -5 -4 1 355.21 328.49 38.65 o -4 -4 1 161.93 211.59 29.82 o -3 -4 1 1432.57 1484.21 72.86 o -2 -4 1 1759.84 1707.67 74.83 o -1 -4 1 2985.59 3086.71 91.96 o 0 -4 1 7176.98 7224.77 155.65 o 1 -4 1 6903.01 7101.48 114.82 o 2 -4 1 4977.98 5408.68 113.13 o 3 -4 1 1543.17 1422.51 65.32 o 4 -4 1 5575.44 5437.54 138.41 o 5 -4 1 5328.19 5102.64 143.29 o 6 -4 1 23.41 67.97 29.67 o 7 -4 1 439.69 436.15 65.92 o 8 -4 1 1649.04 1713.04 146.07 o 9 -4 1 35.62 126.13 39.21 o 10 -4 1 0.09 34.07 19.54 o -10 -3 1 375.67 445.65 83.54 o -9 -3 1 214.78 269.52 65.38 o -8 -3 1 72.50 123.48 44.00 o -7 -3 1 812.03 741.82 85.65 o -6 -3 1 212.99 277.76 54.01 o -5 -3 1 4143.93 3879.71 189.92 o -4 -3 1 57.27 82.02 19.58 o -3 -3 1 102.45 163.63 26.13 o -2 -3 1 45136.75 47707.41 1301.05 o -1 -3 1 3322.37 3482.69 115.65 o 0 -3 1 388.02 392.20 22.33 o 1 -3 1 21451.86 22236.76 247.04 o 2 -3 1 6596.05 6846.85 119.56 o 3 -3 1 301.65 312.52 29.80 o 4 -3 1 8955.24 8922.14 310.12 o 5 -3 1 1555.76 1387.22 70.27 o 6 -3 1 292.72 320.69 57.10 o 7 -3 1 519.06 529.82 74.97 o 8 -3 1 34.01 62.56 30.58 o 9 -3 1 555.58 530.13 79.30 o 10 -3 1 4.72 49.61 23.86 o -10 -2 1 143.99 203.43 61.06 o -9 -2 1 284.81 287.40 65.51 o -8 -2 1 1542.28 1608.36 143.52 o -7 -2 1 0.24 22.43 16.51 o -6 -2 1 2035.05 1938.15 130.61 o -5 -2 1 9589.11 9565.51 172.22 o -4 -2 1 107.65 126.06 20.49 o -3 -2 1 3702.65 4010.10 108.44 o -2 -2 1 764.26 804.98 40.54 o -1 -2 1 268.72 253.20 20.49 o 0 -2 1 147.26 177.11 24.35 o 1 -2 1 6889.61 6856.59 155.68 o 2 -2 1 702.04 781.21 39.12 o 3 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