#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:22:51 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181034 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/14/2211488.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_2211488_Fobs loop_ _publ_author_name 'Meijboom, Reinout' 'Muller, Alfred' _publ_section_title ; Di-\m-iodo-bis[pyridine(tri-p-tolylphosphine)silver(I)] ; _journal_coeditor_code KP2051 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m3191 _journal_page_last m3193 _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 104.669 _cell_angle_beta 113.242 _cell_angle_gamma 96.442 _cell_length_a 10.0060 _cell_length_b 11.9570 _cell_length_c 12.1840 _exptl_crystal_F_000 608.00 _reflns_d_resolution_high 0.7496 _cod_data_source_file kp2051Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' iptpy1m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 241.18 _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 18145.72 18832.61 239.97 o 2 0 0 1585.37 1777.95 20.34 o 3 0 0 2337.62 2324.57 32.24 o 4 0 0 2030.51 2097.23 47.43 o 5 0 0 753.09 698.21 14.63 o 6 0 0 48.70 42.47 5.79 o 7 0 0 1289.68 1406.19 26.09 o 8 0 0 850.53 984.04 27.38 o 9 0 0 416.35 469.79 21.89 o 10 0 0 85.57 92.35 11.14 o 11 0 0 235.94 292.76 24.34 o -12 1 0 42.98 20.44 18.49 o -11 1 0 169.25 158.02 19.16 o -10 1 0 128.76 92.57 15.82 o -9 1 0 151.71 193.23 26.23 o -8 1 0 2137.44 2129.24 36.02 o -7 1 0 2603.75 2576.28 39.96 o -6 1 0 15.94 35.87 6.04 o -5 1 0 1171.51 1274.66 30.14 o -4 1 0 1108.53 1121.36 14.57 o -3 1 0 34.64 52.63 2.83 o -2 1 0 3551.30 3949.39 42.17 o -1 1 0 6910.27 7760.93 206.62 o 0 1 0 12993.10 12847.42 243.02 o 1 1 0 990.90 1178.31 34.84 o 2 1 0 7139.95 7319.40 93.16 o 3 1 0 21825.48 22426.19 279.96 o 4 1 0 14668.31 14619.30 184.68 o 5 1 0 546.74 522.04 12.82 o 6 1 0 356.10 420.02 12.86 o 7 1 0 2084.63 2137.34 81.43 o 8 1 0 5.62 2.68 16.93 o 9 1 0 6.92 3.88 8.83 o 10 1 0 63.24 74.63 15.99 o 11 1 0 188.30 198.85 21.44 o -12 2 0 0.04 -25.96 17.82 o -11 2 0 25.95 8.52 15.76 o -10 2 0 36.07 42.83 12.87 o -9 2 0 100.29 58.65 12.42 o -8 2 0 3020.88 2778.89 43.60 o -7 2 0 809.71 739.44 22.89 o -6 2 0 89.99 61.66 4.13 o -5 2 0 5097.06 5140.81 68.35 o -4 2 0 5698.94 5689.79 76.42 o -3 2 0 2198.97 2008.83 28.30 o -2 2 0 881.11 989.12 14.99 o -1 2 0 25.90 42.39 3.04 o 0 2 0 534.33 532.72 8.60 o 1 2 0 8902.72 10013.52 104.44 o 2 2 0 261.70 148.64 4.06 o 3 2 0 9127.67 8710.77 91.89 o 4 2 0 7404.37 7119.23 121.95 o 5 2 0 0.59 3.70 6.41 o 6 2 0 3306.20 3487.24 51.23 o 7 2 0 1710.63 1797.05 31.80 o 8 2 0 563.17 581.00 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4691.76 4705.64 63.05 o -3 4 0 776.50 680.20 12.95 o -2 4 0 6801.63 7611.59 97.78 o -1 4 0 7803.90 8350.26 141.84 o 0 4 0 8904.95 8982.31 116.33 o 1 4 0 26.79 48.14 3.18 o 2 4 0 1228.70 1263.91 16.12 o 3 4 0 43.96 43.12 3.67 o 4 4 0 443.49 563.20 10.35 o 5 4 0 41.13 98.24 7.14 o 6 4 0 55.26 115.23 29.52 o 7 4 0 872.77 801.62 23.51 o 8 4 0 115.70 120.80 18.49 o 9 4 0 39.46 26.92 21.03 o 10 4 0 113.43 95.48 21.50 o -11 5 0 355.61 400.82 24.12 o -10 5 0 0.22 -1.56 12.87 o -9 5 0 387.44 297.44 19.61 o -8 5 0 166.59 128.78 12.70 o -7 5 0 207.68 174.74 15.04 o -6 5 0 1.12 -3.48 6.41 o -5 5 0 398.92 448.09 18.27 o -4 5 0 4310.29 4675.70 105.63 o -3 5 0 2439.54 2570.40 72.08 o -2 5 0 380.52 308.82 15.85 o -1 5 0 8645.73 8648.94 162.64 o 0 5 0 9601.64 9342.91 174.79 o 1 5 0 283.66 257.99 6.14 o 2 5 0 3229.90 3145.82 35.68 o 3 5 0 3921.85 3755.20 42.44 o 4 5 0 57.27 23.06 4.46 o 5 5 0 88.28 138.22 14.57 o 6 5 0 9.57 7.60 6.99 o 7 5 0 125.74 127.35 10.52 o 8 5 0 26.65 65.80 10.36 o 9 5 0 1.52 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177.02 209.26 13.54 o 1 7 0 16.15 4.99 11.28 o 2 7 0 1729.14 1693.62 29.09 o 3 7 0 2629.09 2753.23 42.75 o 4 7 0 341.14 424.77 21.83 o 5 7 0 114.27 89.84 13.81 o 6 7 0 832.56 873.98 32.81 o 7 7 0 126.43 112.79 19.83 o 8 7 0 1.00 -14.76 16.38 o 9 7 0 22.15 7.97 20.00 o -11 8 0 9.07 -10.14 16.15 o -10 8 0 30.41 39.49 15.60 o -9 8 0 59.97 65.95 14.20 o -8 8 0 11.65 9.02 8.41 o -7 8 0 21.26 18.10 7.78 o -6 8 0 925.75 917.68 20.39 o -5 8 0 2866.46 2941.65 44.37 o -4 8 0 2542.95 2684.94 40.07 o -3 8 0 152.96 171.97 8.71 o -2 8 0 5842.37 6035.51 121.09 o -1 8 0 4405.09 4365.41 90.40 o 0 8 0 338.58 338.54 13.34 o 1 8 0 5.30 13.30 5.51 o 2 8 0 32.92 34.49 7.16 o 3 8 0 129.28 158.70 15.71 o 4 8 0 4.53 13.48 11.36 o 5 8 0 290.86 270.09 21.05 o 6 8 0 357.23 433.85 25.23 o 7 8 0 205.79 266.52 24.84 o 8 8 0 0.00 -8.35 18.38 o -11 9 0 0.14 3.34 15.82 o -10 9 0 98.32 152.90 17.66 o -9 9 0 278.19 299.27 22.28 o -8 9 0 10.23 11.87 8.06 o -7 9 0 27.52 55.06 18.10 o -6 9 0 20.71 24.67 7.03 o -5 9 0 119.14 119.92 14.43 o -4 9 0 103.22 90.34 12.70 o -3 9 0 410.84 451.28 23.39 o -2 9 0 3893.70 3920.76 84.83 o -1 9 0 1267.71 1403.63 39.21 o 0 9 0 2.09 9.78 6.66 o 1 9 0 1339.86 1419.22 38.54 o 2 9 0 1648.18 1663.73 66.09 o 3 9 0 566.26 574.63 17.64 o 4 9 0 54.86 27.29 13.26 o 5 9 0 21.74 15.65 13.48 o 6 9 0 19.82 27.68 14.82 o 7 9 0 37.53 41.77 19.44 o -8 10 0 119.77 97.14 19.16 o -7 10 0 75.51 122.99 17.99 o -6 10 0 141.82 182.19 19.94 o -5 10 0 40.79 46.45 14.43 o -4 10 0 1.09 -9.41 9.86 o -3 10 0 152.97 85.72 13.65 o -2 10 0 319.41 325.23 22.00 o -1 10 0 1280.86 1263.33 39.27 o 0 10 0 110.98 135.45 15.87 o 1 10 0 348.72 322.97 14.81 o 2 10 0 702.57 679.39 69.85 o 3 10 0 31.74 30.75 13.20 o 4 10 0 12.96 24.17 13.42 o 5 10 0 148.16 172.33 20.33 o 6 10 0 10.97 31.08 17.66 o 7 10 0 0.03 -7.85 19.94 o -9 11 0 216.07 186.87 23.67 o -8 11 0 82.05 41.83 19.77 o -7 11 0 137.75 136.13 20.16 o -6 11 0 491.53 541.57 29.58 o -5 11 0 283.40 248.42 22.28 o -4 11 0 4.90 -3.84 13.03 o -3 11 0 126.31 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