#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/23/2202377.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_2202377_Fobs loop_ _publ_author_name 'Zhang, Yiqun' 'Khoo, Lian Ee' 'Tou, Teck Yong' 'Ng, Seik Weng' _publ_section_title ; Bis[3-(4-methylcoumarinyl-7-oxy)-\m-methoxy-1,1,3,3-tetramethyldistannoxane] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m894 _journal_page_last m896 _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 104.874 _cell_angle_beta 93.419 _cell_angle_gamma 115.266 _cell_length_a 8.8105 _cell_length_b 9.7173 _cell_length_c 12.7245 _exptl_crystal_F_000 504.00 _reflns_d_resolution_high 0.8410 _[local]_cod_data_source_file bt6347Isup2.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 256.27 _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 15056.85 14216.12 130.46 o 2 0 0 93.07 211.96 77.81 o 3 0 0 26.95 0.00 83.54 o 4 0 0 1755.65 1884.69 121.73 o 5 0 0 8705.25 8380.86 212.43 o 6 0 0 6441.72 6088.96 172.81 o 7 0 0 1334.49 1292.74 85.45 o 8 0 0 22.80 -73.75 49.17 o 9 0 0 0.75 -73.52 52.99 o -9 1 0 1091.83 1157.17 67.31 o -8 1 0 293.85 296.45 58.24 o -7 1 0 350.12 297.41 75.90 o -6 1 0 489.66 490.27 93.09 o -5 1 0 850.47 758.55 115.53 o -4 1 0 7697.65 7639.49 217.68 o -3 1 0 5627.47 5302.72 183.79 o -2 1 0 2.30 18.62 65.88 o -1 1 0 382.30 432.31 88.32 o 0 1 0 6962.58 7327.32 201.21 o 1 1 0 5764.47 5618.51 110.53 o 2 1 0 7715.38 7436.60 209.57 o 3 1 0 1462.72 1365.78 117.91 o 4 1 0 2136.85 2199.76 135.10 o 5 1 0 2713.32 2578.32 131.28 o 6 1 0 84.76 27.21 72.56 o 7 1 0 188.05 244.90 56.33 o 8 1 0 521.93 437.76 60.63 o -10 2 0 705.39 777.65 66.83 o -9 2 0 513.17 393.84 58.24 o -8 2 0 64.68 71.13 59.67 o -7 2 0 2.95 47.26 68.74 o -6 2 0 1406.72 1327.11 117.44 o -5 2 0 6866.83 6353.91 196.20 o -4 2 0 9144.87 8699.75 232.01 o -3 2 0 236.16 211.48 97.39 o -2 2 0 37.45 -78.29 81.15 o -1 2 0 2001.07 2027.63 89.75 o 0 2 0 12185.28 12689.13 191.72 o 1 2 0 17745.29 18080.79 256.83 o 2 2 0 5989.64 5519.93 189.52 o 3 2 0 3283.75 3371.72 156.10 o 4 2 0 1.72 -9.07 80.20 o 5 2 0 74.18 0.00 79.72 o 6 2 0 1808.21 1775.37 91.18 o 7 2 0 2477.74 2477.12 81.15 o 8 2 0 426.01 432.03 57.76 o -10 3 0 23.95 -3.82 53.47 o -9 3 0 875.85 831.59 60.63 o -8 3 0 2686.25 2729.65 102.16 o -7 3 0 1281.24 1163.85 103.59 o -6 3 0 72.19 59.67 95.95 o -5 3 0 2.85 74.95 91.18 o -4 3 0 1431.59 1431.66 116.48 o 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95.48 o -4 5 0 83.00 93.57 83.54 o -3 5 0 5840.92 5680.33 197.16 o -2 5 0 12234.01 11949.74 268.76 o -1 5 0 15440.82 15412.10 319.13 o 0 5 0 4600.95 4562.62 143.78 o 1 5 0 3.74 -118.99 79.33 o 2 5 0 85.39 303.61 84.97 o 3 5 0 1857.81 1943.41 102.16 o 4 5 0 4376.26 4331.73 119.82 o 5 5 0 2355.13 2296.19 82.11 o 6 5 0 130.26 43.44 54.90 o -10 6 0 424.31 548.51 60.15 o -9 6 0 6.32 9.55 49.17 o -8 6 0 652.48 574.29 72.08 o -7 6 0 156.00 157.53 76.86 o -6 6 0 590.97 608.66 98.34 o -5 6 0 2934.52 2529.63 132.23 o -4 6 0 1166.55 1447.41 112.66 o -3 6 0 1434.54 1332.36 120.78 o -2 6 0 1709.90 1487.51 129.85 o -1 6 0 3.54 5.76 63.39 o 0 6 0 1067.27 1096.38 85.56 o 1 6 0 1164.60 1275.78 84.71 o 2 6 0 0.50 -6.68 71.61 o 3 6 0 702.53 774.79 71.61 o 4 6 0 829.12 856.89 63.49 o 5 6 0 2.97 24.82 52.03 o -10 7 0 222.04 247.28 55.38 o -9 7 0 17.74 32.46 50.60 o -8 7 0 0.13 94.52 51.08 o -7 7 0 1149.76 1013.47 86.41 o -6 7 0 3475.41 3503.00 131.28 o -5 7 0 3159.07 2769.27 132.71 o -4 7 0 405.81 453.51 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75.61 65.40 57.76 o -1 -8 1 14.61 -11.68 57.52 o 0 -8 1 883.14 1007.13 75.43 o 1 -8 1 4878.38 5126.74 101.27 o 2 -8 1 432.67 419.14 80.20 o 3 -8 1 18.78 164.70 68.74 o 4 -8 1 224.19 181.88 76.86 o 5 -8 1 72.01 -50.12 73.04 o 6 -8 1 1292.19 1212.06 84.97 o 7 -8 1 1407.29 1477.01 81.63 o 8 -8 1 276.14 320.32 55.38 o 9 -8 1 204.05 168.51 56.33 o -4 -7 1 27.32 71.61 51.56 o -3 -7 1 233.41 197.16 55.38 o -2 -7 1 63.71 68.27 61.58 o -1 -7 1 644.47 692.35 119.82 o 0 -7 1 1998.12 1967.04 85.72 o 1 -7 1 5016.88 5094.12 114.26 o 2 -7 1 469.48 532.28 91.66 o 3 -7 1 140.28 15.75 91.66 o 4 -7 1 10.38 127.94 81.15 o 5 -7 1 2551.95 2421.74 123.16 o 6 -7 1 3832.10 3771.77 132.71 o 7 -7 1 1376.73 1388.22 89.75 o 8 -7 1 24.60 14.80 54.42 o 9 -7 1 75.03 93.57 52.03 o 10 -7 1 146.26 165.65 55.85 o -5 -6 1 298.95 359.47 53.94 o -4 -6 1 2113.51 2058.93 76.86 o -3 -6 1 3425.40 3542.63 114.57 o -2 -6 1 1687.80 1668.44 105.98 o -1 -6 1 19.90 -59.19 97.15 o 0 -6 1 356.78 418.15 72.23 o 1 -6 1 4898.11 4969.01 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