#------------------------------------------------------------------------------ #$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $ #$Revision: 74188 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/70/2237070.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_2237070_Fobs loop_ _publ_author_name 'Shirvan, Sadif A.' 'Haydari Dezfuli, Sara' 'Khazali, Fereydoon' 'Aghajeri, Manouchehr' 'Borsalani, Ali' _publ_section_title ; Trichlorido(5,5'-dimethyl-2,2'-bipyridine-\k^2^N,N')(dimethylformamide-\kO)indium(III) hemihydrate ; _journal_coeditor_code XU5639 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1448 _journal_page_last m1449 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.089 _cell_angle_beta 96.024 _cell_angle_gamma 96.448 _cell_length_a 11.3021 _cell_length_b 11.4445 _cell_length_c 15.0860 _exptl_crystal_F_000 104.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file xu5639Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 1 _shelx_refln_list_code 4 _shelx_f_calc_maximum 271.59 _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 16600.65 17376.48 331.81 o 3 0 0 12901.75 12850.10 140.01 o 4 0 0 6124.84 6371.92 99.23 o 5 0 0 12008.47 12903.63 112.73 o 6 0 0 5356.27 5819.28 73.10 o 7 0 0 8950.15 9153.14 182.16 o 8 0 0 602.25 613.60 55.28 o 9 0 0 7513.64 7643.60 213.37 o 10 0 0 6235.53 6115.84 204.86 o 11 0 0 1440.87 1487.92 109.78 o 12 0 0 801.58 813.98 72.67 o 13 0 0 735.64 1002.35 103.90 o -13 1 0 462.30 397.56 106.53 o -12 1 0 220.49 387.66 70.05 o -11 1 0 442.57 503.65 92.11 o -10 1 0 1121.81 1145.45 84.76 o -9 1 0 90.12 130.26 60.81 o -8 1 0 656.34 716.29 49.98 o -7 1 0 212.73 243.13 64.95 o -6 1 0 2476.35 2559.37 105.36 o -5 1 0 9787.70 9742.29 208.76 o -4 1 0 2481.95 2496.34 108.12 o -3 1 0 784.91 972.99 95.45 o -2 1 0 1491.83 1454.51 107.88 o -1 1 0 8777.43 9478.76 176.56 o 1 1 0 1000.56 1058.74 71.26 o 2 1 0 1481.97 1769.05 85.10 o 3 1 0 1376.79 1313.34 64.50 o 4 1 0 5552.42 5807.31 118.69 o 5 1 0 1577.78 1773.15 67.13 o 6 1 0 1985.47 2042.12 68.42 o 7 1 0 1613.14 1598.76 104.20 o 8 1 0 230.59 267.19 45.22 o 9 1 0 22.16 88.57 55.44 o 10 1 0 250.18 235.69 49.60 o 11 1 0 10.31 68.19 65.22 o 12 1 0 179.25 287.14 70.64 o 13 1 0 497.19 499.73 91.48 o -13 2 0 1161.89 1231.42 77.98 o -12 2 0 195.91 262.86 94.95 o -11 2 0 2477.14 2557.06 97.64 o -10 2 0 166.22 173.22 62.69 o -9 2 0 4697.85 4570.28 98.44 o -8 2 0 1962.24 2129.19 111.26 o -7 2 0 4521.28 4798.91 182.40 o -6 2 0 567.99 463.14 72.54 o -5 2 0 11221.58 10890.24 175.37 o -4 2 0 35615.78 36291.31 243.51 o -3 2 0 17943.49 17564.07 170.65 o -2 2 0 54200.08 54302.88 537.69 o -1 2 0 662.47 532.94 76.33 o 0 2 0 27757.03 27524.00 440.12 o 1 2 0 1109.33 1171.37 66.20 o 2 2 0 7927.37 7335.17 70.66 o 3 2 0 171.13 196.74 50.80 o 4 2 0 5165.28 5127.00 62.62 o 5 2 0 5137.50 4992.98 116.14 o 6 2 0 69.88 117.46 53.83 o 7 2 0 4255.66 4377.40 80.97 o 8 2 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78.13 o -8 8 0 5.71 0.00 64.27 o -7 8 0 323.52 384.92 63.61 o -6 8 0 410.80 493.42 62.89 o -5 8 0 4428.87 4537.39 72.52 o -4 8 0 1093.99 1033.00 46.42 o -3 8 0 1464.33 1286.53 64.49 o -2 8 0 80.93 31.55 94.80 o -1 8 0 4719.41 4942.40 62.45 o 0 8 0 762.01 765.54 49.26 o 1 8 0 3.70 39.14 67.72 o 2 8 0 72.80 85.75 48.00 o 3 8 0 595.35 636.20 49.24 o 4 8 0 390.51 396.65 43.44 o 5 8 0 5.40 46.10 48.97 o 6 8 0 184.30 275.53 62.85 o 7 8 0 487.95 513.71 77.04 o 8 8 0 9.13 72.08 55.37 o 9 8 0 573.92 613.38 101.43 o 10 8 0 389.91 428.43 108.71 o -11 9 0 196.04 161.28 133.47 o -10 9 0 180.26 172.93 103.76 o -9 9 0 912.26 966.28 72.23 o -8 9 0 1051.20 1049.53 69.56 o -7 9 0 150.20 191.68 78.97 o -6 9 0 2232.37 2266.81 100.48 o -5 9 0 70.92 114.63 50.61 o -4 9 0 4398.73 4422.97 192.12 o -3 9 0 2676.99 2628.95 58.34 o -2 9 0 1124.56 1123.75 101.76 o -1 9 0 4810.92 4775.91 70.18 o 0 9 0 1721.07 1714.69 167.91 o 1 9 0 8782.80 8432.40 190.44 o 2 9 0 670.96 644.73 49.78 o 3 9 0 4473.35 4478.28 73.53 o 4 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