#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/39/2203918.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_2203918_Fobs loop_ _publ_author_name Sadiq-ur-Rehman 'Leung, Bonnie On-On' 'Ali, Saqib' 'Badshah, Amin' 'Parvez, Masood' _publ_section_title ; Bis[2,3-bis(4-chlorophenyl)propenoato-\k^2^O,O']dimethyltin(IV) ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m984 _journal_page_last m986 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 95.817 _cell_angle_beta 99.748 _cell_angle_gamma 114.116 _cell_length_a 8.4740 _cell_length_b 10.2770 _cell_length_c 19.4720 _exptl_crystal_F_000 732.00 _reflns_d_resolution_high 0.7741 _[local]_cod_data_source_file lh6234Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Compound X' _shelx_refln_list_code 4 _shelx_f_calc_maximum 228.21 _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 2 0 0 6272.01 5980.96 132.50 o 3 0 0 2640.08 2620.69 127.64 o 4 0 0 10755.01 10481.22 220.44 o 5 0 0 864.35 862.94 25.42 o 6 0 0 1780.51 1815.83 59.64 o 7 0 0 217.14 214.46 26.25 o 8 0 0 138.90 131.67 16.82 o 9 0 0 719.36 598.03 78.83 o -9 1 0 801.14 773.70 79.15 o -8 1 0 586.63 596.90 27.60 o -7 1 0 674.78 699.95 26.18 o -6 1 0 7107.55 7244.61 171.80 o -5 1 0 1357.78 1229.16 27.81 o -4 1 0 2381.68 2311.38 50.94 o -3 1 0 1087.47 1117.38 24.41 o -2 1 0 697.61 623.08 12.71 o 1 1 0 7317.83 7031.52 170.85 o 2 1 0 2404.66 2467.29 85.49 o 3 1 0 1228.13 1126.60 27.78 o 4 1 0 4308.68 4366.32 103.39 o 5 1 0 378.10 354.82 18.14 o 6 1 0 265.39 287.22 16.78 o 7 1 0 366.01 388.05 22.18 o 8 1 0 666.92 675.44 60.77 o 9 1 0 31.38 42.89 45.11 o -10 2 0 165.01 171.99 32.28 o -9 2 0 58.02 48.88 16.83 o -8 2 0 3755.06 3996.99 112.50 o -7 2 0 480.61 487.11 30.91 o -6 2 0 3171.67 3269.57 74.86 o -5 2 0 274.45 279.89 11.78 o -4 2 0 1917.96 1673.63 39.39 o -3 2 0 1531.85 1474.91 29.34 o -2 2 0 28577.78 27166.28 658.40 o 0 2 0 18050.56 17143.20 316.71 o 1 2 0 4269.28 4319.87 94.56 o 2 2 0 16472.80 15993.43 373.74 o 3 2 0 1661.41 1651.74 42.57 o 4 2 0 6144.68 6345.92 219.23 o 5 2 0 700.09 687.20 24.72 o 6 2 0 631.35 685.71 29.06 o 7 2 0 245.86 227.57 17.94 o 8 2 0 56.71 94.76 24.02 o -10 3 0 573.49 508.21 63.90 o -9 3 0 0.68 -8.66 28.02 o -8 3 0 840.26 856.18 36.20 o -7 3 0 536.14 558.31 56.91 o -6 3 0 2962.17 3151.87 65.17 o -5 3 0 838.79 999.70 51.46 o -4 3 0 8334.32 8114.54 146.95 o -3 3 0 2244.30 2243.48 53.14 o -2 3 0 5217.30 5118.28 108.53 o -1 3 0 44.82 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179.17 o -2 5 0 4969.13 5087.52 196.59 o -1 5 0 70.41 75.62 5.01 o 0 5 0 5450.98 5388.31 105.55 o 1 5 0 59.10 56.52 5.60 o 2 5 0 4355.29 4260.86 77.40 o 3 5 0 16.70 8.08 4.31 o 4 5 0 528.72 522.87 17.58 o 5 5 0 261.97 276.78 32.43 o 6 5 0 1843.92 1939.43 126.83 o 7 5 0 33.04 1.82 43.08 o -10 6 0 200.70 161.02 26.11 o -9 6 0 252.78 239.27 23.73 o -8 6 0 730.00 756.17 31.89 o -7 6 0 367.75 416.20 17.92 o -6 6 0 1200.99 1243.93 30.93 o -5 6 0 438.25 512.40 15.36 o -4 6 0 1700.63 1683.95 32.32 o -3 6 0 1.62 0.00 6.42 o -2 6 0 745.04 779.66 14.99 o -1 6 0 2270.62 2311.88 46.32 o 0 6 0 7169.41 7165.62 150.52 o 1 6 0 0.50 0.43 6.28 o 2 6 0 401.02 406.22 17.71 o 3 6 0 1968.25 1994.65 55.50 o 4 6 0 1839.14 1917.34 89.42 o 5 6 0 371.30 315.54 25.94 o 6 6 0 369.49 333.55 60.64 o -10 7 0 531.99 556.99 45.80 o -9 7 0 686.22 696.19 39.36 o -8 7 0 793.32 774.42 28.38 o -7 7 0 101.93 92.48 10.33 o -6 7 0 1732.81 1782.10 39.97 o -5 7 0 2216.91 2267.02 49.77 o -4 7 0 2983.82 3052.99 56.31 o -3 7 0 67.06 63.05 5.56 o -2 7 0 9375.40 9477.20 151.44 o -1 7 0 325.06 276.79 11.73 o 0 7 0 3077.94 2916.08 62.24 o 1 7 0 0.46 5.96 11.96 o 2 7 0 3582.78 3539.09 109.90 o 3 7 0 64.71 57.27 18.43 o 4 7 0 563.72 614.03 45.68 o 5 7 0 251.11 296.08 144.73 o -10 8 0 25.58 18.84 23.99 o -9 8 0 15.45 -6.19 12.31 o -8 8 0 2940.99 3021.64 82.53 o -7 8 0 242.44 233.81 41.26 o -6 8 0 3.35 6.03 4.97 o -5 8 0 31.94 33.20 4.89 o -4 8 0 2919.63 2790.18 58.36 o -3 8 0 331.54 339.20 11.93 o -2 8 0 2699.97 2883.13 73.05 o -1 8 0 34.59 33.19 7.95 o 0 8 0 210.03 200.34 12.23 o 1 8 0 868.42 907.67 37.09 o 2 8 0 1830.35 1957.85 78.32 o 3 8 0 727.90 696.67 46.41 o 4 8 0 70.31 102.75 46.24 o -10 9 0 693.84 664.02 85.49 o -9 9 0 209.32 234.35 59.32 o -8 9 0 1271.65 1323.62 56.44 o -7 9 0 266.15 229.12 12.13 o -6 9 0 1127.94 1164.91 30.77 o -5 9 0 36.97 43.25 6.58 o -4 9 0 4669.86 5060.92 102.91 o -3 9 0 4.28 11.21 6.87 o -2 9 0 1668.53 1797.05 69.36 o -1 9 0 3.42 22.34 14.53 o 0 9 0 3663.94 3875.58 142.08 o 1 9 0 14.98 10.81 13.57 o 2 9 0 1530.65 1425.91 68.04 o 3 9 0 314.89 310.82 59.40 o -9 10 0 303.71 261.30 51.43 o -8 10 0 180.40 193.15 44.24 o -7 10 0 4.79 23.41 25.09 o -6 10 0 1571.68 1628.02 43.48 o -5 10 0 40.45 26.09 10.44 o -4 10 0 1562.92 1549.53 71.60 o -3 10 0 107.62 99.42 13.32 o -2 10 0 1268.46 1237.18 55.07 o -1 10 0 311.06 301.57 20.12 o 0 10 0 684.72 586.79 30.66 o 1 10 0 237.86 214.28 29.86 o 2 10 0 637.16 510.70 77.87 o -9 11 0 4.78 5.63 41.47 o -8 11 0 2015.88 2238.88 161.15 o -7 11 0 14.47 33.66 35.16 o -6 11 0 765.58 776.41 58.47 o -5 11 0 152.00 144.05 11.91 o -4 11 0 1442.14 1533.48 101.55 o -3 11 0 0.28 -8.75 9.14 o -2 11 0 219.88 200.79 19.79 o -1 11 0 955.41 1004.57 147.94 o 0 11 0 1038.61 984.75 100.50 o 1 11 0 281.91 264.58 46.88 o -8 12 0 478.11 568.34 63.10 o -7 12 0 23.27 -50.57 33.71 o -6 12 0 516.19 461.25 51.70 o -5 12 0 21.75 33.07 14.49 o -4 12 0 954.14 942.34 66.69 o -3 12 0 27.81 16.38 16.23 o -2 12 0 190.16 211.64 35.86 o -1 12 0 43.54 35.16 30.34 o -6 13 0 670.36 922.51 114.47 o -5 13 0 0.35 25.53 54.27 o -4 13 0 172.71 168.57 61.33 o -3 13 0 179.47 148.70 28.55 o 3 -13 1 471.64 438.75 39.18 o 4 -13 1 682.47 703.20 138.07 o 5 -13 1 78.26 72.09 51.05 o 6 -13 1 612.11 577.97 65.50 o 1 -12 1 206.00 203.41 36.60 o 2 -12 1 329.94 374.48 53.04 o 3 -12 1 97.67 100.45 21.71 o 4 -12 1 613.09 559.77 57.48 o 5 -12 1 217.87 193.89 21.80 o 6 -12 1 761.02 751.20 74.65 o 7 -12 1 314.22 348.71 58.28 o 8 -12 1 540.18 512.47 99.86 o -1 -11 1 518.06 516.16 70.96 o 0 -11 1 68.98 90.09 32.50 o 1 -11 1 1112.99 1185.42 72.01 o 2 -11 1 780.20 806.16 32.95 o 3 -11 1 220.35 205.82 15.98 o 4 -11 1 783.64 797.28 36.32 o 5 -11 1 323.68 298.06 14.82 o 6 -11 1 123.85 73.53 27.45 o 7 -11 1 71.12 36.49 27.77 o 8 -11 1 865.51 941.28 94.89 o 9 -11 1 13.57 -2.05 50.52 o -2 -10 1 437.86 402.97 72.41 o -1 -10 1 1126.25 1071.22 54.68 o 0 -10 1 213.12 204.08 41.58 o 1 -10 1 146.70 116.08 18.54 o 2 -10 1 3564.86 3651.87 97.74 o 3 -10 1 706.26 738.03 22.29 o 4 -10 1 620.95 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