#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/86/2228645.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_2228645_Fobs loop_ _publ_author_name 'Liu, Lijun' 'Gong, Shuwen' _publ_section_title ; catena-Poly[triethylammonium [[triphenyltin(IV)]-\m-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]] ; _journal_coeditor_code BH2324 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m122 _journal_volume 67 _journal_year 2011 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.580 _cell_angle_gamma 90.000 _cell_length_a 13.2590 _cell_length_b 16.3231 _cell_length_c 19.1659 _exptl_crystal_F_000 1728.00 _reflns_d_resolution_high 0.8403 _[local]_cod_data_source_file bh2324Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 090326f in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 389.65 _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' 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 0 -22 2376.95 2907.24 531.12 o 2 0 -22 547.37 235.31 229.54 o 4 0 -22 1003.59 741.46 314.06 o 6 0 -22 1708.78 910.49 288.13 o -1 1 -22 661.37 763.26 235.73 o 1 1 -22 507.90 597.19 238.39 o 3 1 -22 753.16 540.80 200.59 o 5 1 -22 648.72 348.22 165.92 o 0 2 -22 1156.09 1197.72 261.47 o 2 2 -22 171.61 250.19 201.70 o 4 2 -22 497.58 279.45 179.60 o 6 2 -22 943.28 470.38 166.69 o -1 3 -22 417.73 605.07 289.09 o 1 3 -22 89.08 -42.84 291.49 o 3 3 -22 113.13 61.47 151.76 o 5 3 -22 267.48 86.78 122.24 o 0 4 -22 181.28 248.30 183.51 o 2 4 -22 81.18 10.30 155.16 o 4 4 -22 17.25 -78.35 143.50 o 3 5 -22 23.94 -278.53 264.12 o -1 1 -21 126.48 -37.38 206.18 o 1 1 -21 71.30 115.98 176.77 o 3 1 -21 223.63 141.16 181.25 o 5 1 -21 86.33 58.26 139.33 o 7 1 -21 119.81 18.58 112.03 o -2 2 -21 308.76 273.72 253.55 o 0 2 -21 340.47 450.94 199.05 o 2 2 -21 79.04 121.68 182.92 o 4 2 -21 778.56 680.44 196.85 o 6 2 -21 505.15 316.28 174.75 o 8 2 -21 230.82 -50.17 146.47 o -1 3 -21 599.17 249.24 346.72 o 1 3 -21 684.92 631.21 210.19 o 3 3 -21 631.90 456.49 173.85 o 5 3 -21 750.10 545.17 203.63 o 7 3 -21 781.07 391.84 169.69 o -2 4 -21 857.01 518.64 348.64 o 0 4 -21 782.97 648.02 211.08 o 2 4 -21 417.68 620.13 216.46 o 4 4 -21 804.18 512.46 180.55 o 6 4 -21 616.18 407.97 179.06 o -1 5 -21 823.43 733.77 296.77 o 1 5 -21 1114.40 567.69 189.98 o 3 5 -21 465.24 396.63 179.03 o 5 5 -21 576.16 322.54 151.81 o 0 6 -21 645.05 942.19 330.39 o 2 6 -21 501.70 247.98 170.92 o 4 6 -21 602.25 67.23 183.44 o 1 7 -21 362.36 235.31 188.25 o 3 7 -21 122.88 34.58 172.88 o -4 0 -20 1055.47 1424.33 350.56 o -2 0 -20 1502.32 1474.27 399.54 o 0 0 -20 1771.70 1801.78 433.16 o 2 0 -20 1470.93 1889.18 414.91 o 4 0 -20 2420.66 2472.16 461.97 o 6 0 -20 1464.85 975.80 292.93 o 8 0 -20 525.02 485.98 270.84 o -5 1 -20 926.45 1068.87 294.09 o -3 1 -20 1012.16 1185.55 440.36 o -1 1 -20 1182.17 1580.40 477.82 o 1 1 -20 740.42 858.42 358.24 o 3 1 -20 1001.11 1035.36 241.75 o 5 1 -20 1905.28 1696.51 257.00 o 7 1 -20 324.31 99.66 127.98 o 9 1 -20 604.48 527.63 168.51 o -4 2 -20 613.82 1164.69 269.30 o -2 2 -20 585.97 633.89 276.61 o 0 2 -20 1388.72 1448.80 272.80 o 2 2 -20 161.85 148.17 155.62 o 4 2 -20 781.04 615.07 193.64 o 6 2 -20 625.32 466.59 174.22 o 8 2 -20 807.77 659.63 192.25 o -5 3 -20 360.68 383.73 412.51 o -3 3 -20 195.58 286.01 179.60 o -1 3 -20 779.15 772.50 196.86 o 1 3 -20 435.75 460.17 212.88 o 3 3 -20 239.73 171.57 189.30 o 5 3 -20 604.40 468.78 183.38 o 7 3 -20 3.18 -131.37 121.50 o 9 3 -20 151.64 -23.55 138.58 o -4 4 -20 229.07 232.82 228.57 o -2 4 -20 132.58 18.25 202.65 o 0 4 -20 458.16 356.29 184.62 o 2 4 -20 278.07 267.74 196.26 o 4 4 -20 143.73 198.30 179.07 o 6 4 -20 24.30 0.09 148.87 o 8 4 -20 123.62 -10.18 117.95 o -3 5 -20 82.56 292.15 165.58 o -1 5 -20 83.35 -1.92 252.59 o 1 5 -20 20.11 -39.78 135.22 o 3 5 -20 0.52 -87.70 162.90 o 5 5 -20 69.92 -109.37 140.30 o 7 5 -20 287.17 -1.92 192.09 o -2 6 -20 197.69 -15.37 196.89 o 0 6 -20 230.95 103.09 150.45 o 2 6 -20 136.69 -71.61 184.40 o 4 6 -20 75.14 59.55 168.08 o 6 6 -20 53.87 50.90 187.28 o -1 7 -20 584.55 943.15 323.67 o 1 7 -20 539.11 324.63 206.49 o 3 7 -20 838.74 471.57 249.71 o 5 7 -20 169.51 76.83 200.73 o 7 7 -20 128.36 160.39 195.93 o 0 8 -20 469.21 452.37 226.66 o 2 8 -20 499.13 442.76 249.71 o 4 8 -20 285.62 315.02 189.21 o 1 9 -20 491.72 10856.76 917.22 o 3 9 -20 810.16 645.41 248.75 o -5 1 -19 54.15 28.29 216.63 o -3 1 -19 82.19 175.02 148.29 o -1 1 -19 407.84 434.47 207.01 o 1 1 -19 198.38 181.46 146.65 o 3 1 -19 207.87 343.81 268.44 o 5 1 -19 1656.35 1674.09 251.26 o 7 1 -19 242.38 224.61 150.20 o 9 1 -19 65.81 46.57 134.46 o -6 2 -19 267.42 472.72 212.36 o -4 2 -19 180.60 74.26 207.30 o -2 2 -19 540.24 543.82 138.31 o 0 2 -19 908.35 1065.77 225.81 o 2 2 -19 791.89 1008.13 369.77 o 4 2 -19 545.22 291.59 170.82 o 6 2 -19 700.06 658.13 192.67 o 8 2 -19 612.77 467.22 164.82 o 10 2 -19 255.26 64.63 164.51 o -5 3 -19 308.69 631.43 240.94 o -3 3 -19 757.70 788.11 171.93 o -1 3 -19 2451.43 2420.33 378.41 o 1 3 -19 662.19 598.95 185.87 o 3 3 -19 965.82 721.29 189.11 o 5 3 -19 1714.32 1360.88 246.09 o 7 3 -19 247.04 113.16 124.51 o 9 3 -19 709.71 536.75 324.15 o -6 4 -19 596.70 605.61 262.15 o -4 4 -19 311.72 310.65 174.48 o -2 4 -19 1323.99 1330.47 247.29 o 0 4 -19 1373.10 1215.05 229.92 o 2 4 -19 1658.46 1927.73 269.42 o 4 4 -19 661.52 644.30 198.59 o 6 4 -19 902.21 705.69 197.73 o 8 4 -19 1167.65 782.84 220.90 o -5 5 -19 1225.03 1270.44 265.83 o -3 5 -19 2731.37 3759.02 459.74 o -1 5 -19 1768.16 2133.75 276.61 o 1 5 -19 884.15 933.22 199.90 o 3 5 -19 2164.52 1713.60 270.53 o 5 5 -19 1755.26 1554.69 251.42 o 7 5 -19 317.94 251.63 243.95 o 9 5 -19 526.53 554.17 240.11 o -4 6 -19 290.11 411.66 162.66 o -2 6 -19 624.90 689.50 202.04 o 0 6 -19 1317.22 1215.22 252.24 o 2 6 -19 639.56 763.68 197.94 o 4 6 -19 1209.78 1383.99 335.19 o 6 6 -19 970.34 1123.71 305.42 o 8 6 -19 508.26 375.53 243.95 o -3 7 -19 2278.17 3178.21 297.54 o -1 7 -19 863.34 1013.26 307.34 o 1 7 -19 395.90 324.63 249.71 o 3 7 -19 514.05 626.20 267.96 o 5 7 -19 532.77 549.37 230.50 o 7 7 -19 282.88 126.78 210.34 o -2 8 -19 125.77 22.09 253.55 o 0 8 -19 539.46 477.34 240.11 o 2 8 -19 86.17 17.29 153.67 o 4 8 -19 306.44 466.77 253.55 o 6 8 -19 200.11 152.71 170.00 o -1 9 -19 96.19 121.01 225.70 o 1 9 -19 61.64 -144.07 195.93 o 3 9 -19 132.34 29.77 147.91 o 5 9 -19 126.52 103.73 194.97 o 0 10 -19 10.29 9.60 148.87 o 2 10 -19 11.69 -16.33 148.87 o 4 10 -19 6.03 145.99 192.09 o -6 0 -18 1068.37 1814.26 462.93 o -4 0 -18 2107.54 2403.01 452.37 o -2 0 -18 3095.69 4214.79 484.06 o 0 0 -18 3141.53 3707.28 496.55 o 2 0 -18 1209.79 1046.87 290.05 o 4 0 -18 2117.99 2240.70 417.79 o 6 0 -18 3501.65 3439.32 461.01 o 8 0 -18 1612.47 1720.14 348.64 o 10 0 -18 1009.80 871.11 335.19 o -7 1 -18 1811.61 2607.15 891.28 o -5 1 -18 1689.98 2382.75 339.46 o -3 1 -18 1504.25 2088.11 223.74 o -1 1 -18 2245.92 2772.26 281.74 o 1 1 -18 1145.92 1515.33 242.60 o 3 1 -18 1449.87 1468.66 233.22 o 5 1 -18 3663.70 4257.61 369.00 o 7 1 -18 2056.72 1981.81 305.42 o 9 1 -18 1093.71 1026.67 207.98 o 11 1 -18 663.48 367.76 169.78 o -6 2 -18 558.90 824.66 253.59 o -4 2 -18 995.34 1143.85 251.63 o -2 2 -18 1595.23 1715.88 177.80 o 0 2 -18 2313.02 2526.65 288.29 o 2 2 -18 1166.59 1281.66 229.99 o 4 2 -18 1135.42 1168.44 225.22 o 6 2 -18 1158.51 809.68 250.67 o 8 2 -18 438.43 277.86 152.74 o 10 2 -18 774.55 466.86 187.08 o -7 3 -18 432.19 1120.73 298.79 o -5 3 -18 740.77 812.14 245.87 o -3 3 -18 684.38 774.80 162.44 o -1 3 -18 695.56 624.00 149.68 o 1 3 -18 1129.97 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