#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/75/2017582.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_2017582_Fobs loop_ _publ_author_name 'Guzei, Ilia A.' 'Arachchige, Indika' 'Ivanov, Sergei A.' _publ_section_title ; Two polymorphs of chlorido(cyclohexyldiphenylphosphine)gold(I) ; _journal_coeditor_code SQ3235 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m55 _journal_page_last m57 _journal_volume 66 _journal_year 2010 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.610 _cell_angle_gamma 90.000 _cell_length_a 9.0059 _cell_length_b 17.2762 _cell_length_c 11.0719 _exptl_crystal_F_000 960.00 _reflns_d_resolution_high 0.6987 _[local]_cod_data_source_file sq3235Issup2.hkl _[local]_cod_data_source_block Is #BEGIN Tags that were not found in dictionaries: _shelx_title ' IVANOV02 IN P2(1)/N' _shelx_refln_list_code 4 _shelx_f_calc_maximum 422.43 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 2 0 0 2849.46 2842.96 99.82 o 4 0 0 12944.36 12517.03 262.05 o 6 0 0 3022.31 2812.99 78.02 o 8 0 0 24232.66 24285.83 511.86 o 10 0 0 7119.71 7304.30 279.12 o 12 0 0 2056.73 2449.24 155.27 o 2 1 0 103988.35 99135.86 3854.08 o 3 1 0 34463.62 35131.52 497.58 o 4 1 0 722.53 902.69 22.42 o 5 1 0 4829.29 4784.14 80.01 o 6 1 0 8482.95 8114.04 129.20 o 7 1 0 15681.37 15285.45 232.04 o 8 1 0 5593.49 5747.30 103.51 o 9 1 0 21.46 93.43 24.43 o 10 1 0 7595.41 7817.14 162.01 o 11 1 0 3422.85 3433.90 95.19 o 12 1 0 1720.43 1916.68 115.88 o 2 2 0 8651.73 8994.93 147.49 o 3 2 0 29784.38 30541.54 433.37 o 4 2 0 58.44 96.19 9.79 o 5 2 0 34798.07 34690.63 497.48 o 6 2 0 199.74 163.76 18.44 o 7 2 0 3156.72 3090.56 63.01 o 8 2 0 289.24 299.68 23.83 o 9 2 0 21453.95 21161.94 372.80 o 10 2 0 5.22 30.56 25.89 o 11 2 0 14.97 83.47 35.74 o 12 2 0 123.05 91.62 40.69 o 1 3 0 28898.29 28654.03 1527.77 o 2 3 0 40359.74 41228.46 650.58 o 3 3 0 23098.73 23767.58 316.92 o 4 3 0 1709.49 1852.67 41.86 o 5 3 0 5786.89 5725.94 105.41 o 6 3 0 13402.61 13519.20 205.66 o 7 3 0 20372.12 19292.23 323.40 o 8 3 0 2497.73 2323.17 57.45 o 9 3 0 166.19 330.56 29.64 o 10 3 0 1144.57 1307.46 57.70 o 11 3 0 6290.54 6084.18 170.99 o 12 3 0 618.85 579.29 55.66 o 0 4 0 178449.11 184848.06 7196.14 o 1 4 0 1229.67 1368.89 30.46 o 2 4 0 1443.97 1467.55 28.72 o 3 4 0 10574.99 10899.74 130.58 o 4 4 0 32764.88 32611.88 402.57 o 5 4 0 1782.74 1726.47 64.62 o 6 4 0 1114.95 1072.76 31.38 o 7 4 0 167.06 169.92 17.84 o 8 4 0 21367.79 20948.58 352.66 o 9 4 0 1890.22 1888.63 59.71 o 10 4 0 5373.08 5139.53 134.42 o 11 4 0 764.44 782.98 63.79 o 12 4 0 1793.30 1844.51 232.91 o 1 5 0 1835.43 1892.96 38.97 o 2 5 0 50274.16 51374.02 714.37 o 3 5 0 11397.81 11601.38 139.56 o 5 5 0 4563.83 4490.42 69.84 o 6 5 0 21095.21 20318.44 335.84 o 7 5 0 1952.09 1996.41 53.47 o 8 5 0 3945.43 4126.24 80.94 o 9 5 0 13.56 12.87 24.60 o 10 5 0 8077.98 8110.17 190.75 o 11 5 0 1914.80 1958.86 119.23 o 12 5 0 2332.16 2368.33 144.18 o 0 6 0 16773.09 17607.66 286.79 o 1 6 0 34389.52 34518.25 701.08 o 2 6 0 8073.10 8655.70 166.65 o 3 6 0 11998.76 12682.10 162.08 o 4 6 0 7293.82 7168.87 94.95 o 5 6 0 17346.51 17131.64 218.80 o 6 6 0 4310.37 4106.32 84.67 o 7 6 0 4232.33 4182.12 130.20 o 8 6 0 1284.64 1282.37 46.63 o 9 6 0 7044.88 7221.09 155.82 o 10 6 0 53.71 108.10 34.21 o 11 6 0 88.98 168.92 50.92 o 12 6 0 520.17 605.53 122.00 o 1 7 0 31444.25 32510.34 471.65 o 2 7 0 866.86 807.94 42.44 o 3 7 0 35500.48 35550.95 438.97 o 4 7 0 270.23 288.98 12.38 o 5 7 0 6727.84 6785.64 94.83 o 6 7 0 7099.21 7128.19 107.24 o 7 7 0 8078.36 7936.88 151.69 o 8 7 0 32.76 55.20 20.56 o 9 7 0 403.30 463.81 37.80 o 10 7 0 19.43 -23.26 38.96 o 11 7 0 9843.89 9785.83 289.22 o 12 7 0 136.94 165.69 59.94 o 0 8 0 10861.29 10151.04 179.03 o 1 8 0 12111.33 12787.07 164.47 o 2 8 0 3269.35 3241.62 51.41 o 3 8 0 13197.45 13690.17 176.39 o 4 8 0 35785.65 35244.23 411.89 o 5 8 0 8332.95 8152.27 178.29 o 6 8 0 138.51 202.22 17.36 o 7 8 0 50.57 80.40 19.28 o 8 8 0 9876.09 9844.01 207.97 o 9 8 0 2483.09 2580.44 96.33 o 10 8 0 2552.81 2474.19 111.30 o 11 8 0 48.49 123.94 84.11 o 12 8 0 1533.90 1657.89 111.03 o 1 9 0 442.42 568.11 15.66 o 2 9 0 39480.43 39754.99 462.30 o 4 9 0 3733.65 3759.56 67.25 o 5 9 0 154.96 191.67 12.78 o 6 9 0 30441.88 30558.91 447.47 o 7 9 0 112.13 125.28 28.80 o 8 9 0 2189.77 2182.96 85.38 o 9 9 0 121.81 139.23 37.50 o 10 9 0 3323.59 3135.73 126.96 o 11 9 0 3.45 1.26 49.56 o 0 10 0 8654.20 9164.50 166.34 o 1 10 0 8988.23 9206.11 116.48 o 2 10 0 78.73 121.86 12.24 o 3 10 0 7244.18 7339.88 117.25 o 4 10 0 31010.05 31175.65 390.90 o 5 10 0 17687.52 17813.08 249.37 o 6 10 0 5001.35 5143.20 92.70 o 7 10 0 604.43 687.62 32.24 o 8 10 0 2776.58 2875.91 99.64 o 9 10 0 1467.93 1701.34 84.43 o 10 10 0 985.79 1084.83 83.88 o 11 10 0 17.87 7.35 48.85 o 1 11 0 14784.14 14931.81 173.39 o 2 11 0 144.94 176.73 11.95 o 3 11 0 35626.94 36306.21 453.39 o 4 11 0 45.25 43.27 19.58 o 5 11 0 8084.63 7695.39 201.11 o 6 11 0 227.52 253.67 19.97 o 7 11 0 8907.25 8893.26 167.51 o 8 11 0 256.42 215.95 39.55 o 9 11 0 636.66 647.98 58.20 o 10 11 0 8.96 -43.40 43.40 o 11 11 0 7904.87 8011.31 391.88 o 0 12 0 9942.63 10827.39 244.29 o 1 12 0 14022.35 14605.35 171.04 o 2 12 0 303.53 377.52 18.18 o 3 12 0 9386.48 9510.87 156.41 o 4 12 0 13466.00 13699.12 218.32 o 5 12 0 19620.51 18993.92 417.35 o 6 12 0 339.60 407.22 39.13 o 7 12 0 2649.96 2612.90 69.07 o 8 12 0 2880.26 3029.39 151.12 o 9 12 0 3356.38 3276.61 117.61 o 10 12 0 656.11 702.10 74.17 o 11 12 0 253.63 223.70 70.24 o 1 13 0 78.93 127.25 11.45 o 2 13 0 36133.83 36735.92 434.09 o 3 13 0 4037.37 3918.84 84.18 o 4 13 0 3215.55 3454.61 73.54 o 5 13 0 2059.61 2093.54 55.34 o 6 13 0 15756.47 15177.08 242.06 o 7 13 0 124.02 101.64 23.78 o 8 13 0 1553.59 1530.36 75.24 o 9 13 0 0.79 -17.12 37.26 o 10 13 0 3721.00 3650.46 169.14 o 0 14 0 17741.35 18009.14 332.79 o 1 14 0 700.51 718.90 22.22 o 2 14 0 610.82 697.83 23.46 o 3 14 0 6554.87 6604.81 119.53 o 4 14 0 23577.90 23842.44 396.74 o 5 14 0 6519.09 6437.46 129.92 o 6 14 0 1188.26 1315.13 45.08 o 7 14 0 178.70 218.28 28.43 o 8 14 0 4886.96 4816.81 117.12 o 9 14 0 1946.94 2090.63 99.96 o 10 14 0 2963.28 2985.08 134.90 o 1 15 0 10581.66 10430.04 136.40 o 2 15 0 2848.71 2742.64 63.75 o 3 15 0 11702.85 11758.28 256.14 o 4 15 0 418.81 432.71 29.92 o 5 15 0 4841.62 4711.23 96.83 o 6 15 0 2046.09 2095.22 59.31 o 7 15 0 12956.50 12834.13 238.64 o 8 15 0 310.71 267.98 33.93 o 9 15 0 559.19 604.11 72.84 o 10 15 0 60.17 63.20 53.63 o 0 16 0 4789.56 5043.62 101.10 o 1 16 0 12203.05 12044.24 196.41 o 2 16 0 576.43 675.15 42.44 o 3 16 0 6339.64 6285.09 118.46 o 4 16 0 2456.32 2495.80 72.20 o 5 16 0 15764.61 15075.12 247.91 o 6 16 0 1025.44 949.59 51.53 o 7 16 0 1960.71 1898.53 66.92 o 8 16 0 1034.89 987.01 53.50 o 9 16 0 5327.10 5046.28 164.69 o 1 17 0 764.92 796.76 33.69 o 2 17 0 20263.79 20691.37 324.92 o 3 17 0 4603.38 4499.72 94.36 o 4 17 0 687.87 729.36 38.89 o 5 17 0 2212.03 2144.44 69.85 o 6 17 0 5492.49 5406.05 174.56 o 7 17 0 1981.32 2020.81 64.22 o 8 17 0 1817.72 1813.52 71.54 o 9 17 0 21.25 60.67 49.54 o 0 18 0 25033.39 25910.85 569.23 o 1 18 0 15.58 30.74 22.04 o 2 18 0 206.70 236.47 26.52 o 3 18 0 1906.35 1989.36 59.80 o 4 18 0 9079.92 9027.58 163.89 o 5 18 0 480.89 388.34 34.88 o 6 18 0 926.64 959.55 47.53 o 7 18 0 195.33 236.98 30.36 o 8 18 0 5730.19 5816.89 256.13 o 1 19 0 8222.11 8071.19 150.59 o 2 19 0 5639.32 5723.66 115.17 o 3 19 0 4185.16 4248.17 112.84 o 4 19 0 309.29 287.69 32.44 o 5 19 0 612.69 578.07 39.62 o 6 19 0 2056.56 2037.33 66.59 o 7 19 0 5262.49 5208.62 136.54 o 8 19 0 585.00 649.70 52.29 o 0 20 0 206.27 377.34 67.06 o 1 20 0 11710.65 11822.65 268.48 o 2 20 0 265.95 262.72 36.18 o 3 20 0 3578.49 3515.29 86.19 o 4 20 0 158.20 113.81 29.96 o 5 20 0 4527.24 4216.08 99.61 o 6 20 0 334.94 364.01 37.24 o 7 20 0 699.39 800.27 45.72 o 1 21 0 4649.44 4865.79 176.80 o 2 21 0 5258.45 5245.83 170.53 o 3 21 0 1607.38 1675.63 88.63 o 4 21 0 16.16 -18.78 30.98 o 5 21 0 965.50 964.13 73.87 o 6 21 0 2367.44 2357.07 80.36 o 0 22 0 14111.19 14268.36 452.35 o 1 22 0 157.25 232.89 58.86 o 2 22 0 15.28 3.10 40.03 o 3 22 0 160.06 193.13 39.17 o 4 22 0 4359.82 4269.63 119.16 o 5 22 0 7.53 33.05 37.63 o 1 23 0 1034.78 1143.81 98.79 o 2 23 0 5728.07 5811.53 168.93 o 3 23 0 2393.99 2386.25 105.35 o 4 23 0 49.76 58.48 39.30 o 0 24 0 1218.08 1500.63 129.82 o 1 24 0 5865.83 5933.45 281.42 o 2 24 0 13.37 32.41 44.76 o 3 24 0 1497.19 1579.07 163.02 o -11 0 1 654.22 729.55 66.17 o -9 0 1 22096.26 22299.64 477.69 o -7 0 1 4927.31 5108.78 128.13 o -5 0 1 41417.96 40186.94 809.72 o -3 0 1 425.29 418.89 20.95 o 3 0 1 39109.93 37961.69 883.09 o 5 0 1 3732.26 3619.27 118.96 o 7 0 1 12185.32 11687.29 259.30 o 9 0 1 13367.68 13019.20 388.18 o 11 0 1 4869.01 4979.88 246.77 o -12 1 1 2138.79 2288.18 104.47 o -11 1 1 3780.32 3584.98 107.84 o -10 1 1 697.85 680.54 41.44 o -9 1 1 1038.41 1051.10 40.12 o -8 1 1 12886.60 12981.64 203.46 o -7 1 1 26053.44 25997.26 381.71 o -6 1 1 15836.69 16009.27 240.14 o -5 1 1 4238.85 4468.76 75.35 o -4 1 1 1767.24 1527.20 31.11 o -3 1 1 13991.08 13838.67 201.13 o -2 1 1 1517.33 1520.22 35.74 o 2 1 1 42142.01 42307.21 701.99 o 3 1 1 10253.11 10478.67 139.07 o 4 1 1 682.10 702.63 21.77 o 5 1 1 7399.79 6988.47 130.06 o 6 1 1 10153.67 9752.08 184.76 o 7 1 1 5600.31 5385.74 94.96 o 8 1 1 532.05 568.35 64.03 o 9 1 1 4953.74 4888.36 148.61 o 10 1 1 8763.64 8501.08 235.08 o 11 1 1 4936.15 4861.54 376.44 o 12 1 1 98.41 62.54 40.01 o -12 2 1 451.27 633.54 56.30 o -11 2 1 2.74 22.67 32.44 o -10 2 1 8617.64 8576.51 171.51 o -9 2 1 1207.62 1317.68 44.69 o -8 2 1 7814.37 7730.82 130.72 o -7 2 1 295.80 391.35 22.50 o -6 2 1 33660.72 33141.66 478.52 o -5 2 1 988.95 962.77 31.65 o -4 2 1 18674.32 18093.36 292.93 o -3 2 1 987.30 884.09 23.48 o -2 2 1 10823.14 10508.18 196.85 o -1 2 1 681.54 720.76 39.15 o 2 2 1 4748.01 4563.27 67.52 o 3 2 1 8780.98 9113.17 127.59 o 4 2 1 55495.78 55377.95 783.89 o 5 2 1 158.79 218.01 43.06 o 6 2 1 1352.10 1418.20 41.28 o 7 2 1 23.65 22.92 13.65 o 8 2 1 25513.61 23930.03 413.47 o 9 2 1 725.07 775.45 52.29 o 10 2 1 107.44 245.07 33.53 o 11 2 1 266.98 235.44 38.61 o 12 2 1 5069.05 4729.92 274.56 o -12 3 1 4050.65 3989.91 241.23 o -11 3 1 2731.62 2746.56 106.68 o -10 3 1 2102.53 2112.09 75.09 o -9 3 1 1839.92 1844.43 55.37 o -8 3 1 17833.60 18401.61 279.82 o -7 3 1 7531.92 7536.16 124.79 o -6 3 1 7814.92 7675.32 123.66 o -5 3 1 598.40 625.04 32.93 o -4 3 1 19773.09 19276.69 279.76 o -3 3 1 8388.21 8384.81 115.99 o -2 3 1 11054.17 10751.61 178.92 o -1 3 1 18.63 4.51 5.79 o 0 3 1 8675.31 8483.04 279.12 o 1 3 1 11748.98 12950.91 986.08 o 2 3 1 86556.35 89931.06 7247.89 o 3 3 1 10082.16 10475.50 125.50 o 4 3 1 5089.26 5301.94 72.60 o 5 3 1 1802.13 1714.11 52.49 o 6 3 1 22789.46 22500.15 368.74 o 7 3 1 965.82 977.99 33.48 o 8 3 1 30.00 73.76 20.56 o 9 3 1 3809.21 3743.66 91.55 o 10 3 1 13950.11 13700.07 259.42 o 11 3 1 2378.41 2396.78 91.60 o 12 3 1 17.56 -5.79 38.84 o -12 4 1 68.68 32.00 69.32 o -11 4 1 1848.52 1837.38 99.46 o -10 4 1 734.26 957.75 54.88 o -9 4 1 12997.81 13205.30 264.36 o -8 4 1 757.98 844.21 34.06 o -7 4 1 2898.75 3082.21 70.78 o -6 4 1 7615.33 7792.01 125.74 o -5 4 1 36522.61 36265.66 520.74 o -4 4 1 994.88 1144.96 30.71 o -3 4 1 88.22 131.26 17.64 o -2 4 1 4400.69 4662.12 74.80 o -1 4 1 49299.04 49398.79 782.42 o 0 4 1 26064.62 26510.17 477.11 o 1 4 1 4574.82 4706.30 65.71 o 2 4 1 1477.58 1467.57 24.37 o 3 4 1 36831.14 37100.70 455.63 o 4 4 1 7164.26 7455.84 99.27 o 5 4 1 14923.54 14796.00 203.26 o 6 4 1 59.03 58.87 13.01 o 7 4 1 15742.57 15756.81 240.73 o 8 4 1 2102.58 1903.90 53.50 o 9 4 1 9256.66 8813.05 174.80 o 10 4 1 17.45 43.79 29.88 o 11 4 1 2531.51 2798.84 141.98 o 12 4 1 723.61 750.76 69.21 o -12 5 1 663.38 607.17 73.01 o -11 5 1 6096.04 6310.20 202.11 o -10 5 1 50.16 63.59 28.57 o -9 5 1 1467.57 1499.25 75.75 o -8 5 1 3620.97 3639.04 86.94 o -7 5 1 23043.23 22999.52 341.53 o -6 5 1 6716.30 6969.66 114.69 o -5 5 1 5884.05 6194.99 101.05 o -4 5 1 258.18 264.81 12.97 o -3 5 1 52410.87 51512.71 631.44 o -2 5 1 1470.24 1529.55 35.27 o -1 5 1 752.97 726.72 25.12 o 0 5 1 26058.61 27201.10 555.72 o 1 5 1 49770.02 51537.46 629.77 o 2 5 1 18070.13 18635.34 234.40 o 3 5 1 11512.85 11981.68 153.16 o 4 5 1 2062.83 2133.48 31.06 o 5 5 1 28341.66 28086.67 354.84 o 6 5 1 3596.81 3622.73 68.37 o 7 5 1 15545.52 15149.85 232.59 o 8 5 1 1301.25 1281.36 45.02 o 9 5 1 5804.14 5659.85 191.30 o 10 5 1 1557.58 1368.40 75.93 o 11 5 1 4749.53 4832.02 288.01 o 12 5 1 497.55 515.92 74.84 o -12 6 1 885.97 1004.63 86.61 o -11 6 1 397.15 446.60 61.72 o -10 6 1 9909.54 9914.59 466.74 o -9 6 1 5595.74 5699.17 129.14 o -8 6 1 1748.36 1835.59 59.72 o -7 6 1 327.30 392.95 26.78 o -6 6 1 16398.12 16525.44 248.19 o -5 6 1 9903.72 10100.96 132.95 o -4 6 1 17275.42 16928.36 214.82 o -3 6 1 209.76 226.96 10.36 o -2 6 1 28111.86 28159.40 477.98 o -1 6 1 4653.85 4470.25 74.55 o 0 6 1 56320.44 58368.36 718.99 o 1 6 1 236.05 205.13 10.56 o 2 6 1 7056.18 7192.80 95.21 o 3 6 1 15070.75 15200.61 193.05 o 4 6 1 38690.84 39966.61 463.61 o 5 6 1 2503.83 2595.23 43.76 o 6 6 1 935.70 967.44 26.32 o 7 6 1 2563.84 2585.73 57.45 o 8 6 1 17622.26 16937.79 281.23 o 9 6 1 2363.82 2423.73 81.03 o 10 6 1 92.23 176.47 36.24 o 11 6 1 1642.68 1776.04 80.82 o 12 6 1 5017.05 5363.71 197.63 o -12 7 1 7420.26 7164.31 234.46 o -11 7 1 1190.14 1118.06 87.80 o -10 7 1 1626.55 1762.04 143.26 o -9 7 1 1890.06 1965.86 83.20 o -8 7 1 16882.05 16689.79 286.61 o -7 7 1 176.60 222.10 24.61 o -6 7 1 4202.66 4236.75 87.43 o -5 7 1 2006.47 2036.43 36.21 o -4 7 1 28558.99 27865.25 386.48 o -3 7 1 3156.95 3248.87 53.25 o -2 7 1 39900.39 39900.91 788.68 o -1 7 1 4301.07 4453.65 76.25 o 0 7 1 10083.04 10092.25 123.63 o 1 7 1 1647.20 1560.29 25.64 o 2 7 1 44163.72 45369.68 577.85 o 3 7 1 4172.94 4104.98 60.00 o 4 7 1 5702.83 5835.53 77.28 o 5 7 1 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