#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/95/2209569.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_2209569_Fobs loop_ _publ_author_name 'Hong, Min' 'Yin, Han-Dong' 'Wang, Da-Qi' _publ_section_title ; Bis[\m-furan-2-carbaldehyde (1-carboxyethylidene)hydrazonato(2--)]bis[methanoldimethyltin(IV)] ; _journal_coeditor_code KJ2006 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1555 _journal_page_last m1557 _journal_volume 62 _journal_year 2006 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 102.658 _cell_angle_gamma 90.000 _cell_length_a 20.7936 _cell_length_b 9.9114 _cell_length_c 14.1417 _exptl_crystal_F_000 1488.00 _reflns_d_resolution_high 0.8377 _[local]_cod_data_source_file kj2006Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 050706e in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 522.44 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 95785.31 103009.66 1155.77 o 4 0 0 14374.66 16271.45 373.02 o 6 0 0 92063.15 98136.07 1318.73 o 8 0 0 65782.21 67065.34 1131.49 o 10 0 0 30518.07 33396.14 822.04 o 12 0 0 285.85 264.10 144.18 o 14 0 0 28521.50 28836.94 898.90 o 16 0 0 15343.01 16766.12 733.33 o 18 0 0 30.46 -97.66 181.46 o 20 0 0 1610.18 2067.72 404.52 o 22 0 0 1184.24 1455.14 409.72 o 24 0 0 1093.17 639.29 322.47 o 1 1 0 13202.47 14582.92 223.93 o 3 1 0 5697.87 5601.20 100.89 o 5 1 0 5669.52 5624.65 127.55 o 7 1 0 26624.16 29245.66 563.19 o 9 1 0 31912.92 32722.93 376.56 o 11 1 0 237.90 203.22 118.89 o 13 1 0 6607.22 6379.84 290.82 o 15 1 0 2778.49 3370.94 287.58 o 17 1 0 4094.74 4104.73 427.20 o 19 1 0 714.25 889.09 221.39 o 21 1 0 2631.62 2963.69 344.37 o 23 1 0 811.92 583.77 148.23 o 0 2 0 23521.10 25966.32 884.16 o 2 2 0 14317.07 14482.62 180.72 o 4 2 0 245.93 159.20 72.39 o 6 2 0 7646.05 7093.27 177.03 o 8 2 0 6886.24 6512.28 134.99 o 10 2 0 4028.02 3938.48 110.09 o 12 2 0 372.97 370.72 216.92 o 14 2 0 10878.91 11195.91 596.52 o 16 2 0 9318.09 8660.63 381.13 o 18 2 0 3.23 -69.79 124.04 o 20 2 0 1316.56 1115.59 189.22 o 22 2 0 798.75 1157.15 263.52 o 1 3 0 91242.60 97759.88 756.65 o 3 3 0 6829.64 7332.06 153.32 o 5 3 0 27546.67 28750.11 453.88 o 7 3 0 100185.70 106046.59 1419.33 o 9 3 0 52049.00 51867.30 485.36 o 11 3 0 360.88 163.32 57.21 o 13 3 0 12051.11 11618.53 293.77 o 15 3 0 17511.31 17343.44 518.19 o 17 3 0 2151.96 2367.77 230.51 o 19 3 0 116.09 127.57 115.11 o 21 3 0 4936.30 4870.00 371.75 o 23 3 0 3673.87 3853.87 450.91 o 0 4 0 82393.80 85126.19 698.43 o 2 4 0 16142.44 16969.67 223.25 o 4 4 0 2720.00 2688.08 116.62 o 6 4 0 12847.68 12116.23 238.02 o 8 4 0 5340.91 5055.55 160.88 o 10 4 0 7169.49 6989.88 172.86 o 12 4 0 929.88 749.30 106.22 o 14 4 0 6857.65 6952.02 275.42 o 16 4 0 4712.62 4573.44 247.45 o 18 4 0 33.65 -23.21 129.08 o 20 4 0 1284.13 1632.63 279.91 o 22 4 0 599.49 500.55 215.49 o 1 5 0 1407.49 1357.63 83.17 o 3 5 0 292.98 184.32 57.91 o 5 5 0 8203.30 7751.92 271.63 o 7 5 0 9399.90 9294.35 231.03 o 9 5 0 1953.48 1927.10 188.30 o 11 5 0 755.12 688.75 94.71 o 13 5 0 1961.59 1765.64 155.27 o 15 5 0 4006.08 4188.97 391.95 o 17 5 0 2.68 91.76 140.52 o 19 5 0 1.57 1.39 156.94 o 21 5 0 786.84 1022.80 263.45 o 0 6 0 38287.85 38854.98 486.15 o 2 6 0 25659.29 26813.04 340.11 o 4 6 0 1407.41 1612.89 144.63 o 6 6 0 18525.63 17871.42 337.94 o 8 6 0 8519.46 7748.81 232.81 o 10 6 0 10194.55 9546.67 268.59 o 12 6 0 1041.84 728.40 132.54 o 14 6 0 21180.26 19847.26 522.53 o 16 6 0 12831.74 12008.32 529.51 o 18 6 0 103.38 294.45 182.66 o 20 6 0 2291.81 2676.59 361.20 o 1 7 0 9875.62 9752.88 264.90 o 3 7 0 249.34 84.44 93.16 o 5 7 0 3454.94 3536.67 176.92 o 7 7 0 10878.35 10922.65 288.56 o 9 7 0 3132.03 3014.33 181.38 o 11 7 0 118.85 8.89 101.70 o 13 7 0 1978.76 1801.10 469.07 o 15 7 0 4050.32 4280.45 358.11 o 17 7 0 206.77 119.80 258.60 o 19 7 0 0.52 46.44 173.32 o 0 8 0 15930.28 15735.65 509.33 o 2 8 0 2459.08 2196.67 228.05 o 4 8 0 315.12 175.00 110.71 o 6 8 0 2138.42 2202.45 216.02 o 8 8 0 1135.83 1076.27 167.19 o 10 8 0 605.78 468.16 149.17 o 12 8 0 64.94 -138.57 138.57 o 14 8 0 900.75 767.72 170.46 o 16 8 0 105.89 -13.76 175.82 o 1 9 0 3293.99 3571.85 223.59 o 3 9 0 763.54 460.86 144.38 o 5 9 0 4261.92 4713.05 299.34 o 7 9 0 10991.08 10251.58 383.89 o 9 9 0 5425.67 5184.78 285.74 o 11 9 0 412.37 313.68 176.42 o 13 9 0 3488.30 2959.29 374.06 o 15 9 0 3966.72 4988.57 682.77 o 0 10 0 6128.22 4734.02 489.76 o 2 10 0 1040.49 1012.73 189.37 o 4 10 0 630.34 568.28 163.32 o 6 10 0 1188.31 1384.38 216.63 o 8 10 0 1249.14 1145.96 199.43 o 10 10 0 221.66 213.57 159.51 o 12 10 0 58.11 8.55 191.50 o 1 11 0 541.03 363.29 213.35 o 3 11 0 7.31 160.50 319.01 o 5 11 0 29.90 12.65 145.93 o 7 11 0 493.15 314.16 165.81 o -23 1 1 161.56 183.13 266.14 o -21 1 1 4277.44 4463.47 271.81 o -19 1 1 14202.37 14433.46 436.89 o -17 1 1 4845.55 4703.95 250.82 o -15 1 1 867.92 644.06 166.24 o -13 1 1 12060.94 11251.73 368.17 o -11 1 1 33868.01 34567.71 410.50 o -9 1 1 6610.91 6277.03 368.15 o -7 1 1 6534.23 6357.02 118.24 o -5 1 1 108945.11 119054.07 927.52 o -3 1 1 26858.31 27844.77 241.45 o -1 1 1 499.82 594.81 37.49 o 1 1 1 41881.29 45179.89 399.67 o 3 1 1 108864.44 116254.21 883.50 o 5 1 1 10531.84 11071.08 145.60 o 7 1 1 158.18 60.37 43.26 o 9 1 1 20472.25 20497.49 292.04 o 11 1 1 24276.98 23958.58 245.98 o 13 1 1 1482.58 1626.85 207.91 o 15 1 1 388.42 258.70 139.90 o 17 1 1 9233.77 8817.60 670.78 o 19 1 1 11490.67 11155.36 479.20 o 21 1 1 775.91 937.25 248.09 o 23 1 1 351.45 239.44 183.33 o -24 2 1 536.76 299.27 164.92 o -22 2 1 968.93 948.90 195.79 o -20 2 1 8934.12 8824.69 313.64 o -18 2 1 12142.37 11744.54 386.38 o -16 2 1 69.82 78.95 99.42 o -14 2 1 6444.62 5700.20 240.09 o -12 2 1 34883.11 35535.17 931.26 o -10 2 1 42300.16 45412.77 514.94 o -8 2 1 7381.27 8140.13 121.26 o -6 2 1 68684.40 73194.32 476.43 o -4 2 1 42716.78 46184.92 388.66 o -2 2 1 84970.08 89011.20 540.34 o 0 2 1 14904.32 15209.26 160.33 o 2 2 1 16736.15 16214.36 230.35 o 4 2 1 22210.71 21955.39 413.55 o 6 2 1 19033.74 19269.58 268.99 o 8 2 1 17186.23 16686.56 225.44 o 10 2 1 71754.88 72824.50 552.83 o 12 2 1 20921.32 21644.09 648.71 o 14 2 1 1049.19 761.67 175.09 o 16 2 1 2628.46 2579.12 326.91 o 18 2 1 6161.81 6742.06 380.75 o 20 2 1 3031.23 3389.22 348.39 o 22 2 1 4.14 -163.52 163.52 o -23 3 1 22.01 36.01 146.21 o -21 3 1 93.10 253.90 140.05 o -19 3 1 1320.41 1271.24 257.20 o -17 3 1 8.39 -59.44 86.65 o -15 3 1 35.97 37.43 100.46 o -13 3 1 2067.74 2028.04 155.81 o -11 3 1 3680.83 3742.87 102.81 o -9 3 1 1061.39 1285.59 89.16 o -7 3 1 929.72 1014.40 94.13 o -5 3 1 2618.39 2277.80 95.30 o -3 3 1 267.45 234.70 52.86 o -1 3 1 2223.62 2233.14 74.95 o 1 3 1 22787.35 24903.32 287.38 o 3 3 1 2.42 -38.55 38.55 o 5 3 1 1688.28 1639.76 129.12 o 7 3 1 3159.06 3690.97 271.59 o 9 3 1 485.84 459.62 69.30 o 11 3 1 455.01 407.75 88.57 o 13 3 1 225.50 313.11 132.22 o 15 3 1 1395.51 1481.42 222.39 o 17 3 1 52.40 -120.41 120.41 o 19 3 1 529.95 387.05 184.45 o 21 3 1 93.25 2.89 248.50 o 23 3 1 17.85 -62.10 161.14 o -22 4 1 483.78 440.11 210.92 o -20 4 1 5248.45 5009.77 375.82 o -18 4 1 3080.54 3294.15 349.57 o -16 4 1 785.32 708.92 201.34 o -14 4 1 7323.02 6294.66 244.91 o -12 4 1 21333.58 21131.86 268.22 o -10 4 1 10732.50 10053.99 202.27 o -8 4 1 0.31 -47.32 47.64 o -6 4 1 60757.71 66366.84 609.18 o -4 4 1 112049.17 117405.34 847.05 o -2 4 1 2970.56 2732.03 93.59 o 0 4 1 876.96 835.04 65.57 o 2 4 1 11096.40 11365.58 202.00 o 4 4 1 71399.09 74389.05 1218.91 o 6 4 1 10572.32 10125.46 254.79 o 8 4 1 1246.65 1162.25 268.63 o 10 4 1 17508.46 17394.85 300.23 o 12 4 1 9894.73 10245.85 326.69 o 14 4 1 3321.30 3364.71 266.79 o 16 4 1 35.49 -6.47 121.19 o 18 4 1 2234.58 1972.08 421.85 o 20 4 1 1143.73 1598.11 292.35 o 22 4 1 71.65 41.67 194.66 o -21 5 1 3548.56 3897.21 418.28 o -19 5 1 7047.48 6867.42 514.17 o -17 5 1 6472.12 6279.83 391.36 o -15 5 1 1121.00 1224.72 235.58 o -13 5 1 15092.30 15092.95 407.51 o -11 5 1 14356.88 14710.10 268.65 o -9 5 1 6855.03 6398.88 204.30 o -7 5 1 3354.21 3216.30 143.11 o -5 5 1 18324.52 17229.72 305.97 o -3 5 1 30570.18 31276.25 347.58 o -1 5 1 1238.49 1241.52 100.89 o 1 5 1 15559.26 14532.89 217.34 o 3 5 1 19446.19 18784.98 368.05 o 5 5 1 29182.38 30271.16 516.72 o 7 5 1 75.03 79.34 58.23 o 9 5 1 16386.56 15814.84 357.27 o 11 5 1 14795.24 14955.32 376.63 o 13 5 1 5149.61 4818.03 231.05 o 15 5 1 5424.66 5579.51 275.80 o 17 5 1 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