#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/28/2212849.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_2212849_Fobs loop_ _publ_author_name 'Govindaswamy, Padavattan' 'S\"uss-Fink, Georg' 'Therrien, Bruno' _publ_section_title ; Di-\m-chlorido-bis[chlorido(\h^5^-pentamethylcyclopentadienyl)rhodium(III)] chloroform trisolvate ; _journal_coeditor_code DN2136 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m931 _journal_page_last m932 _journal_volume 63 _journal_year 2007 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.733 _cell_angle_gamma 90.000 _cell_length_a 16.2812 _cell_length_b 16.7815 _cell_length_c 13.8303 _exptl_crystal_F_000 1928.00 _reflns_d_resolution_high 0.8357 _[local]_cod_data_source_file dn2136Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' GP70209' _shelx_refln_list_code 4 _shelx_f_calc_maximum 435.68 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 1.07 -10.39 126.14 o 2 0 0 20801.10 22536.67 383.42 o 3 0 0 414.58 270.95 184.76 o 4 0 0 78662.63 76869.38 798.16 o 5 0 0 370.03 525.38 158.68 o 6 0 0 78606.09 75044.44 401.36 o 7 0 0 5456.17 4912.46 166.11 o 8 0 0 13960.97 14880.25 178.67 o 9 0 0 173.97 272.95 141.74 o 10 0 0 19298.67 19334.46 396.02 o 11 0 0 1.96 -15.51 153.74 o 12 0 0 63834.31 66999.71 556.63 o 13 0 0 446.00 496.02 114.69 o 14 0 0 19264.15 18462.99 398.79 o 15 0 0 1744.04 1726.62 227.55 o 16 0 0 2353.62 2399.09 189.69 o 17 0 0 0.57 123.38 196.03 o 18 0 0 13262.95 12720.33 296.09 o 1 1 0 1051.95 1275.67 106.79 o 2 1 0 15.50 -11.88 94.83 o 3 1 0 89.05 148.45 94.62 o 4 1 0 248.62 341.80 88.29 o 5 1 0 29474.04 28761.86 255.92 o 6 1 0 91.93 46.07 69.97 o 7 1 0 5353.05 5085.08 95.18 o 8 1 0 1454.44 1534.04 79.64 o 9 1 0 50957.66 49421.34 430.32 o 10 1 0 215.18 205.19 102.25 o 11 1 0 25.45 60.91 97.29 o 12 1 0 869.64 848.02 93.31 o 13 1 0 3826.13 3665.30 135.96 o 14 1 0 1629.24 1470.14 111.31 o 15 1 0 299.31 196.00 101.59 o 16 1 0 715.25 915.04 131.62 o 17 1 0 17.86 89.83 112.22 o 18 1 0 163.62 200.83 131.04 o 0 2 0 85320.98 89914.79 749.72 o 1 2 0 331.14 341.21 85.25 o 2 2 0 2671.05 2653.11 108.86 o 3 2 0 2078.97 2070.62 97.46 o 4 2 0 4666.38 4311.97 98.27 o 5 2 0 3.55 63.62 73.64 o 6 2 0 89984.95 84789.35 816.27 o 7 2 0 137.13 38.27 83.83 o 8 2 0 21621.34 21395.64 207.33 o 9 2 0 116.00 130.95 82.59 o 10 2 0 13334.38 13560.84 134.04 o 11 2 0 1145.24 1166.03 96.73 o 12 2 0 11500.34 11326.26 132.03 o 13 2 0 206.63 277.40 102.27 o 14 2 0 2439.84 2233.15 112.94 o 15 2 0 2279.74 2321.98 130.10 o 16 2 0 348.93 238.32 92.24 o 17 2 0 5.84 72.66 140.34 o 18 2 0 2449.45 2366.48 184.95 o 1 3 0 117491.07 120342.59 1099.30 o 2 3 0 462.60 473.18 82.89 o 3 3 0 73001.45 74379.52 905.10 o 4 3 0 282.74 539.90 72.79 o 5 3 0 13046.63 13700.05 149.49 o 6 3 0 3925.60 4132.03 88.13 o 7 3 0 1082.81 1175.71 77.28 o 8 3 0 0.51 65.31 74.95 o 9 3 0 30282.77 31041.84 338.90 o 10 3 0 2242.41 2327.26 87.21 o 11 3 0 1529.16 1718.84 92.88 o 12 3 0 142.23 96.53 93.41 o 13 3 0 5083.92 4871.52 103.88 o 14 3 0 1407.20 1437.54 102.49 o 15 3 0 8441.82 8898.95 145.59 o 16 3 0 264.73 209.76 118.45 o 17 3 0 15.98 -71.55 137.41 o 18 3 0 680.98 871.62 132.55 o 0 4 0 1992.46 2247.33 126.05 o 1 4 0 65.12 90.16 80.23 o 2 4 0 8069.64 8669.69 120.01 o 3 4 0 3011.87 2678.88 87.82 o 4 4 0 14504.98 14700.52 136.64 o 5 4 0 13.70 45.30 64.64 o 6 4 0 923.42 996.72 73.48 o 7 4 0 724.04 906.19 71.74 o 8 4 0 3.18 -15.29 70.14 o 9 4 0 80.38 121.35 64.13 o 10 4 0 6037.09 6019.78 91.97 o 11 4 0 162.69 177.12 75.34 o 12 4 0 0.47 49.67 88.71 o 13 4 0 1819.52 1691.74 100.71 o 14 4 0 1278.15 1265.78 124.59 o 15 4 0 154.00 109.75 127.69 o 16 4 0 101.06 99.56 119.99 o 17 4 0 92.49 136.29 125.66 o 18 4 0 0.07 -19.66 134.95 o 1 5 0 5610.03 5929.14 90.96 o 2 5 0 3765.00 3793.61 85.95 o 3 5 0 14069.82 13048.70 116.34 o 4 5 0 16225.53 17547.32 141.95 o 5 5 0 3321.64 3031.28 78.31 o 6 5 0 114.74 127.17 71.80 o 7 5 0 445.99 322.47 73.73 o 8 5 0 1456.11 1445.36 73.57 o 9 5 0 8115.39 8205.47 130.13 o 10 5 0 202.58 249.73 73.47 o 11 5 0 1299.16 1433.99 75.91 o 12 5 0 663.52 771.74 83.27 o 13 5 0 4239.83 3887.87 102.56 o 14 5 0 590.97 554.54 112.47 o 15 5 0 6397.46 6576.29 132.43 o 16 5 0 808.26 835.42 115.32 o 17 5 0 34.38 84.55 116.63 o 18 5 0 869.45 532.16 309.27 o 0 6 0 23484.26 23385.35 236.69 o 1 6 0 24.09 37.22 63.89 o 2 6 0 398.69 341.44 61.30 o 3 6 0 14.07 61.39 72.10 o 4 6 0 19084.53 19602.82 131.62 o 5 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86.14 o 4 8 0 8658.64 8177.11 88.50 o 5 8 0 3053.91 3016.12 74.33 o 6 8 0 86113.86 89446.35 761.81 o 7 8 0 0.18 126.36 76.33 o 8 8 0 7984.65 8080.85 89.82 o 9 8 0 164.10 117.96 74.06 o 10 8 0 420.41 442.63 71.78 o 11 8 0 114.08 192.43 70.79 o 12 8 0 19106.26 19260.72 171.25 o 13 8 0 667.04 801.28 87.15 o 14 8 0 6241.70 6270.88 105.23 o 15 8 0 882.95 884.89 106.68 o 16 8 0 906.57 705.16 117.53 o 17 8 0 77.36 138.25 128.09 o 1 9 0 61.64 89.48 61.38 o 2 9 0 3.43 0.35 66.73 o 3 9 0 1614.85 1759.30 69.54 o 4 9 0 744.54 724.15 71.39 o 5 9 0 447.46 494.16 72.81 o 6 9 0 96.53 87.06 64.42 o 7 9 0 2662.73 2745.08 80.55 o 8 9 0 0.09 29.96 73.57 o 9 9 0 1224.31 1240.33 78.42 o 10 9 0 212.50 268.23 73.04 o 11 9 0 126.18 231.94 76.32 o 12 9 0 34.07 57.26 89.68 o 13 9 0 325.44 370.06 92.66 o 14 9 0 1956.77 1800.60 107.67 o 15 9 0 20.64 62.21 97.36 o 16 9 0 1.04 36.95 101.31 o 0 10 0 112790.58 111592.80 672.31 o 1 10 0 99.14 138.40 66.19 o 2 10 0 27436.78 28631.13 230.97 o 3 10 0 511.80 512.87 65.01 o 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