#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/58/2215843.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_2215843_Fobs loop_ _publ_author_name 'Sun, Junshan' 'Ma, Chunlin' 'Zhang, Rufen' _publ_section_title ; Dimethyl(1,10-phenanthroline)bis(2,3,4,5-tetrafluorobenzoato)tin(IV) ; _journal_coeditor_code CI2474 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2691 _journal_page_last m2692 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.519 _cell_angle_beta 90.205 _cell_angle_gamma 110.247 _cell_length_a 7.2650 _cell_length_b 10.1740 _cell_length_c 18.9570 _exptl_crystal_F_000 704.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file ci2474Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 060209h in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 307.22 _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 1 0 0 522.83 508.84 38.86 o 2 0 0 12602.86 12674.85 419.25 o 3 0 0 43.28 52.19 21.17 o 4 0 0 2437.03 2539.38 103.12 o 6 0 0 779.95 844.15 88.42 o 7 0 0 43.12 109.80 49.33 o 8 0 0 153.37 71.38 98.29 o -8 1 0 20.48 5.93 44.30 o -7 1 0 434.70 351.37 192.20 o -6 1 0 44.41 243.32 102.80 o -5 1 0 1684.43 1556.46 92.34 o -4 1 0 2.27 -10.06 42.51 o -3 1 0 3036.97 2827.83 125.12 o -2 1 0 7220.79 7419.15 295.95 o -1 1 0 23339.55 22770.26 1266.73 o 0 1 0 52.70 55.32 10.97 o 1 1 0 3405.54 4692.15 151.87 o 2 1 0 1107.68 1140.31 63.54 o 3 1 0 2166.99 2182.36 120.79 o 4 1 0 2999.07 3323.99 122.00 o 5 1 0 853.83 1398.81 92.57 o 6 1 0 240.96 211.35 53.57 o 7 1 0 116.92 101.31 65.29 o -8 2 0 294.33 189.06 84.31 o -7 2 0 10.99 135.00 42.92 o -6 2 0 927.02 862.55 64.30 o -5 2 0 3.93 35.65 40.42 o -4 2 0 1336.38 1186.94 69.34 o -3 2 0 1224.64 1274.75 67.67 o -2 2 0 5640.40 5185.51 299.79 o -1 2 0 29.08 0.37 22.58 o 1 2 0 12.61 7.66 14.66 o 2 2 0 2210.55 1971.41 73.19 o 3 2 0 4288.80 4550.78 155.15 o 4 2 0 1871.96 1763.68 99.79 o 5 2 0 167.48 206.45 51.16 o 6 2 0 250.96 249.82 55.23 o 7 2 0 225.62 124.48 47.75 o -8 3 0 3.94 69.54 64.21 o -7 3 0 368.17 448.55 83.55 o -6 3 0 210.32 242.40 85.59 o -5 3 0 728.86 870.93 99.76 o -4 3 0 1795.69 3047.10 197.85 o -3 3 0 6273.20 5063.42 211.08 o -2 3 0 2444.70 2059.04 129.64 o -1 3 0 1990.46 2485.56 163.02 o 0 3 0 2659.46 3344.06 198.03 o 2 3 0 102.75 121.36 22.64 o 3 3 0 837.71 820.91 58.23 o 4 3 0 1092.12 1159.47 60.03 o 5 3 0 383.13 461.04 53.80 o 6 3 0 425.43 322.08 124.53 o 7 3 0 30.60 175.93 75.16 o 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46.35 o 1 6 0 1727.19 2296.67 155.52 o 2 6 0 590.30 659.29 59.26 o 3 6 0 1940.07 1929.81 105.93 o 4 6 0 30.01 -30.00 64.64 o 5 6 0 323.62 281.53 71.69 o -7 7 0 118.34 311.34 88.42 o -6 7 0 426.34 496.96 93.72 o -5 7 0 586.15 680.92 60.21 o -4 7 0 638.83 696.77 57.17 o -3 7 0 274.80 265.57 34.13 o -2 7 0 3549.55 3767.82 132.92 o -1 7 0 120.13 96.52 39.77 o 0 7 0 2318.11 2538.16 120.26 o 1 7 0 23.66 18.57 29.94 o 2 7 0 2261.86 2702.38 149.85 o 3 7 0 29.16 85.27 37.63 o 4 7 0 305.06 246.06 75.44 o -8 8 0 4.64 9.24 83.02 o -7 8 0 329.77 304.48 89.61 o -6 8 0 21.04 105.43 68.03 o -5 8 0 499.88 530.79 44.36 o -3 8 0 1401.10 1503.63 86.94 o -2 8 0 1.10 -53.68 46.81 o -1 8 0 1581.85 1752.21 147.11 o 0 8 0 160.56 109.27 59.16 o 1 8 0 2649.74 2965.55 209.37 o 2 8 0 59.54 43.43 52.49 o -7 9 0 17.48 64.19 77.54 o -6 9 0 218.66 208.56 80.47 o -5 9 0 0.60 56.14 43.34 o -4 9 0 1123.59 927.62 122.25 o -3 9 0 16.05 71.23 55.41 o -2 9 0 636.83 735.52 103.60 o -1 9 0 333.88 392.08 83.85 o 0 9 0 682.12 674.53 102.41 o 1 9 0 498.28 374.89 74.43 o 2 9 0 355.10 239.48 64.56 o 3 9 0 138.96 129.38 69.59 o -7 10 0 80.17 41.24 80.92 o -6 10 0 0.06 38.04 69.58 o -5 10 0 225.15 217.43 66.39 o -4 10 0 570.94 772.09 102.04 o -3 10 0 783.43 832.90 107.89 o -2 10 0 372.80 361.36 86.04 o -1 10 0 726.23 726.28 106.43 o 0 10 0 256.03 180.13 70.77 o 1 10 0 218.04 103.05 53.40 o 2 10 0 145.40 55.96 51.39 o -5 11 0 258.26 177.85 68.76 o -4 11 0 399.49 451.42 89.33 o -3 11 0 120.77 192.75 74.71 o -2 11 0 143.50 112.92 72.42 o -1 11 0 231.06 209.75 81.84 o 0 11 0 252.04 151.88 69.59 o -4 12 0 218.23 244.41 81.65 o -3 12 0 72.97 -5.49 69.03 o -2 12 0 50.96 27.07 73.06 o 2 -12 1 121.90 -9.87 74.34 o 3 -12 1 173.85 157.64 85.13 o 0 -11 1 81.59 -40.41 54.13 o 1 -11 1 121.70 87.41 72.69 o 2 -11 1 100.13 164.59 78.55 o 3 -11 1 91.28 112.10 74.07 o 4 -11 1 210.55 245.24 78.45 o 5 -11 1 67.90 33.28 61.08 o -2 -10 1 85.46 65.01 58.15 o -1 -10 1 297.01 158.01 61.08 o 0 -10 1 460.69 417.68 87.14 o 1 -10 1 6.94 -4.02 63.18 o 2 -10 1 684.60 683.30 104.51 o 3 -10 1 301.91 386.87 82.48 o 4 -10 1 605.52 705.34 99.85 o 5 -10 1 114.63 110.01 47.36 o 6 -10 1 167.06 87.23 74.52 o 7 -10 1 18.11 12.71 78.18 o -3 -9 1 117.87 32.09 63.55 o -2 -9 1 142.13 74.98 57.24 o -1 -9 1 866.90 809.58 100.03 o 0 -9 1 559.32 481.78 90.43 o 1 -9 1 429.92 403.05 84.31 o 2 -9 1 49.12 54.59 59.16 o 3 -9 1 634.15 659.84 62.52 o 4 -9 1 3.50 50.38 55.96 o 5 -9 1 394.90 413.60 56.47 o 6 -9 1 0.26 51.39 65.56 o 7 -9 1 211.82 159.56 85.40 o -3 -8 1 286.89 335.12 78.55 o -2 -8 1 1971.65 1855.71 148.84 o -1 -8 1 12.64 -27.34 51.03 o 0 -8 1 1500.46 1833.77 152.41 o 1 -8 1 223.42 236.27 69.13 o 2 -8 1 1846.39 1818.98 153.32 o 4 -8 1 922.40 842.28 65.75 o 5 -8 1 4.45 85.95 94.32 o 6 -8 1 173.46 181.41 74.89 o 7 -8 1 2.26 57.33 72.14 o 8 -8 1 33.01 26.06 83.12 o -4 -7 1 263.92 183.61 75.80 o -3 -7 1 3547.11 3622.55 242.74 o -2 -7 1 23.96 -49.47 48.10 o -1 -7 1 416.42 596.99 88.15 o 0 -7 1 5.29 -19.47 46.72 o 1 -7 1 1767.95 2150.05 106.44 o 2 -7 1 454.45 531.43 82.39 o 3 -7 1 2761.98 2529.17 95.60 o 4 -7 1 67.74 249.72 58.52 o 5 -7 1 521.06 741.19 86.68 o 6 -7 1 233.27 432.22 86.87 o 7 -7 1 246.07 135.05 77.27 o 8 -7 1 65.15 64.28 77.72 o -5 -6 1 5.47 79.28 55.68 o -4 -6 1 1379.63 1208.70 84.32 o -3 -6 1 354.35 318.60 60.03 o -2 -6 1 1029.27 1392.80 82.76 o -1 -6 1 26.02 44.27 31.73 o 0 -6 1 3687.65 4430.66 184.83 o 1 -6 1 944.55 1138.70 81.30 o 2 -6 1 2222.98 2031.55 99.29 o 3 -6 1 853.61 1206.17 182.40 o 4 -6 1 2776.09 2824.30 283.88 o 6 -6 1 260.44 498.05 92.08 o 7 -6 1 306.51 371.32 91.80 o -6 -5 1 14.38 78.82 57.88 o -5 -5 1 631.79 632.74 93.45 o -4 -5 1 6.96 -48.46 32.31 o -3 -5 1 1804.30 1698.87 76.89 o -2 -5 1 305.96 466.91 39.32 o 0 -5 1 1741.21 2302.92 83.85 o 1 -5 1 14935.02 18334.29 579.91 o 2 -5 1 1225.09 1729.69 137.10 o 3 -5 1 5919.26 5864.87 415.13 o 4 -5 1 1799.34 2171.09 171.34 o 5 -5 1 719.12 796.87 87.23 o 6 -5 1 871.85 1042.46 109.26 o 7 -5 1 231.47 616.09 108.72 o 8 -5 1 348.06 946.47 231.10 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