#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/95/2209532.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_2209532_Fobs loop_ _publ_author_name 'Horvath, Ulrike E. I.' 'Raubenheimer, Helgard G.' _publ_section_title ; A third polymorph of (2-thiazolidinethionato)(triphenylphosphine)gold(I) ; _journal_coeditor_code HG2050 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1644 _journal_page_last m1645 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 71.411 _cell_angle_beta 75.984 _cell_angle_gamma 68.848 _cell_length_a 8.2258 _cell_length_b 11.0179 _cell_length_c 12.1641 _exptl_crystal_F_000 556.00 _reflns_d_resolution_high 0.7988 _[local]_cod_data_source_file hg2050Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' xm in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 269.13 _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 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201.53 o -7 2 0 3225.71 3106.53 145.02 o -6 2 0 504.70 673.60 60.93 o -5 2 0 3374.31 3378.69 107.07 o -4 2 0 4000.83 3964.97 106.54 o -3 2 0 33.44 61.97 19.80 o -2 2 0 7954.31 8682.99 167.29 o -1 2 0 3042.86 3285.54 69.91 o 0 2 0 1350.78 1497.24 37.57 o 1 2 0 2150.63 2221.15 50.32 o 2 2 0 2460.82 2182.82 121.46 o 3 2 0 6201.69 6167.50 117.32 o 4 2 0 9757.79 9963.49 180.57 o 5 2 0 397.64 532.70 40.68 o 6 2 0 7520.71 7201.12 162.94 o 7 2 0 4678.31 4492.28 212.18 o 8 2 0 842.35 801.99 160.91 o 9 2 0 2264.32 2043.77 191.09 o -7 3 0 5403.22 4906.01 473.54 o -6 3 0 5307.95 5025.18 177.36 o -5 3 0 341.66 355.42 45.94 o -4 3 0 9446.34 9947.73 201.46 o -3 3 0 2140.96 2227.81 74.20 o -2 3 0 7801.84 7749.13 149.43 o -1 3 0 12159.74 12529.33 204.29 o 0 3 0 4.51 4.59 10.18 o 1 3 0 6319.20 7060.67 138.68 o 2 3 0 2908.48 2756.29 68.06 o 3 3 0 633.72 636.05 37.70 o 4 3 0 6514.53 6129.16 153.56 o 5 3 0 1553.33 1474.68 78.06 o 6 3 0 993.19 942.31 72.08 o 7 3 0 2902.22 2960.08 194.49 o 8 3 0 237.60 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100.63 o 7 5 0 2026.77 2314.76 184.51 o 8 5 0 3286.56 3112.72 326.46 o 9 5 0 3.07 170.99 91.93 o -7 6 0 453.24 683.88 189.40 o -6 6 0 853.14 848.78 124.25 o -5 6 0 2672.79 2844.24 206.74 o -4 6 0 321.58 424.41 72.70 o -3 6 0 2251.37 2119.27 122.41 o -2 6 0 2670.97 2930.90 117.38 o -1 6 0 16.87 59.41 29.36 o 0 6 0 7225.05 7266.75 161.65 o 1 6 0 2891.49 2527.63 76.57 o 2 6 0 4456.46 4244.77 107.77 o 3 6 0 9837.91 9629.86 197.48 o 4 6 0 328.34 334.07 37.64 o 5 6 0 4791.97 4613.60 280.52 o 6 6 0 6009.89 6338.23 201.72 o 7 6 0 25.23 108.57 83.26 o 8 6 0 7834.90 7243.83 311.77 o 9 6 0 1431.45 1564.74 183.26 o -6 7 0 4.09 134.34 91.87 o -5 7 0 1875.26 2154.76 182.16 o -4 7 0 386.65 538.29 97.98 o -3 7 0 913.03 972.72 137.42 o -2 7 0 6795.03 6321.75 210.12 o -1 7 0 1083.85 1183.47 87.22 o 0 7 0 2090.13 2151.90 99.92 o 1 7 0 6721.74 6785.49 150.41 o 2 7 0 52.57 45.50 23.99 o 3 7 0 4469.32 4215.06 117.05 o 4 7 0 2594.11 2693.26 93.75 o 5 7 0 1570.61 1711.21 99.54 o 6 7 0 4367.14 4264.09 155.35 o 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218.05 o -2 10 0 31.60 167.62 83.05 o -1 10 0 2762.49 2789.76 212.17 o 0 10 0 4801.89 5009.71 249.85 o 1 10 0 810.67 930.19 124.24 o 2 10 0 8402.59 7930.51 237.70 o 3 10 0 1800.54 2049.35 128.58 o 4 10 0 2487.39 2851.94 182.12 o 5 10 0 5509.51 5695.99 348.65 o 6 10 0 162.97 303.74 88.21 o 7 10 0 2801.54 2340.23 346.47 o 8 10 0 3027.30 3751.17 343.31 o -2 11 0 1100.59 1288.46 171.03 o -1 11 0 472.11 644.13 117.39 o 0 11 0 2429.12 2134.00 265.91 o 1 11 0 84.59 32.62 59.77 o 2 11 0 1801.95 2177.43 188.67 o 3 11 0 3052.51 3200.04 155.65 o 4 11 0 2.11 42.49 66.76 o 5 11 0 3229.45 3281.63 209.81 o 6 11 0 1922.97 1544.30 233.46 o 7 11 0 1242.38 1103.99 200.23 o 0 12 0 1399.00 1171.90 171.08 o 1 12 0 1116.61 944.13 180.63 o 2 12 0 314.25 474.70 109.69 o 3 12 0 3068.26 3399.73 229.16 o 4 12 0 243.65 385.27 131.68 o 5 12 0 577.49 498.08 152.18 o 6 12 0 880.09 705.22 186.73 o 3 13 0 2079.26 1949.70 285.19 o 4 13 0 1629.83 1820.12 258.84 o -4 -12 1 603.08 942.15 195.14 o -3 -12 1 413.34 325.14 96.57 o -2 -12 1 1424.77 1566.24 177.02 o -1 -12 1 33.82 23.80 76.32 o 0 -12 1 1379.19 1263.56 173.63 o -7 -11 1 3325.90 3090.95 337.49 o -6 -11 1 371.52 381.79 130.55 o -5 -11 1 1723.58 2113.07 262.15 o -4 -11 1 2605.40 3002.03 275.01 o -3 -11 1 21.74 39.01 93.81 o -2 -11 1 2407.15 2293.38 192.13 o -1 -11 1 897.87 910.77 134.99 o 0 -11 1 344.64 753.26 132.85 o 1 -11 1 3092.46 2604.03 226.56 o 2 -11 1 613.53 985.20 153.28 o -8 -10 1 38.69 53.79 88.31 o -7 -10 1 3295.83 3657.75 234.37 o -6 -10 1 2367.52 2440.26 183.73 o -5 -10 1 678.91 956.10 121.62 o -4 -10 1 7200.76 7440.76 235.01 o -3 -10 1 2216.33 2391.57 136.89 o -2 -10 1 2744.34 2609.09 186.81 o -1 -10 1 5682.80 5944.83 689.25 o 0 -10 1 377.09 268.54 87.22 o 1 -10 1 2737.66 2711.38 214.48 o 2 -10 1 3101.17 3459.37 244.68 o 3 -10 1 6.69 69.53 153.31 o -8 -9 1 526.49 695.55 215.71 o -7 -9 1 740.66 774.11 161.71 o -6 -9 1 3051.19 3295.83 200.62 o -5 -9 1 1222.19 1266.95 100.10 o -4 -9 1 5175.44 5386.31 157.73 o -3 -9 1 7390.26 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