#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/99/2229903.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_2229903_Fobs loop_ _publ_author_name 'Munyaneza, Apollinaire' 'Meijboom, Reinout' 'Omondi, Bernard' _publ_section_title ; Bis[dicyclohexyl(phenyl)phosphane-\kP]silver(I) perchlorate dichloromethane monosolvate ; _journal_coeditor_code ZS2098 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m483 _journal_page_last m484 _journal_volume 67 _journal_year 2011 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yac' _symmetry_space_group_name_H-M 'P 1 n 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.706 _cell_angle_gamma 90.000 _cell_length_a 9.5910 _cell_length_b 13.4369 _cell_length_c 15.1290 _exptl_crystal_F_000 876.00 _reflns_d_resolution_high 0.7570 _[local]_cod_data_source_file zs2098Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 6IRM14_0m in Pn' _shelx_refln_list_code 4 _shelx_f_calc_maximum 305.03 _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, 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 -19 1224.41 1223.03 64.04 o 3 0 -19 933.33 961.38 37.91 o 0 1 -19 478.24 497.86 37.00 o 1 1 -19 863.86 894.35 37.33 o 2 1 -19 169.32 183.54 13.04 o 3 1 -19 549.57 576.11 19.09 o 4 1 -19 1072.37 1078.67 32.55 o 0 2 -19 800.76 826.58 50.37 o 1 2 -19 959.21 918.86 38.83 o 2 2 -19 333.81 321.17 16.40 o 3 2 -19 451.64 465.71 17.12 o 4 2 -19 201.97 196.24 14.32 o 0 3 -19 845.02 844.13 51.13 o 1 3 -19 98.25 104.92 18.69 o 2 3 -19 879.09 891.06 35.44 o 3 3 -19 192.03 192.94 12.93 o 4 3 -19 264.13 220.91 13.98 o 0 4 -19 409.48 357.65 32.35 o 1 4 -19 772.69 758.46 47.15 o 2 4 -19 15.74 20.60 8.13 o 3 4 -19 888.99 917.65 49.71 o 0 5 -19 852.95 944.31 53.88 o 1 5 -19 210.71 255.38 25.90 o 2 5 -19 1513.87 1507.25 72.86 o -2 0 -18 1099.53 1108.52 62.52 o 0 0 -18 751.66 798.59 48.29 o 2 0 -18 1964.97 1906.54 59.23 o 4 0 -18 2024.31 2003.96 69.21 o 6 0 -18 1989.82 1978.15 59.70 o -2 1 -18 395.76 430.64 25.08 o -1 1 -18 1199.22 1196.21 45.72 o 0 1 -18 119.06 148.32 14.76 o 1 1 -18 2261.01 2248.10 126.17 o 2 1 -18 380.18 431.94 15.96 o 3 1 -18 1250.81 1238.13 31.44 o 4 1 -18 73.03 76.78 7.64 o 5 1 -18 658.70 656.95 23.22 o 6 1 -18 241.67 244.48 13.88 o -2 2 -18 420.41 392.66 33.49 o -1 2 -18 182.41 194.75 21.68 o 0 2 -18 777.50 715.32 32.60 o 1 2 -18 958.28 957.19 37.83 o 2 2 -18 472.20 503.28 20.09 o 3 2 -18 607.54 616.16 19.48 o 4 2 -18 864.41 901.28 28.59 o 5 2 -18 153.83 165.95 15.77 o 6 2 -18 1089.63 1113.99 32.47 o -2 3 -18 115.49 120.96 20.30 o -1 3 -18 380.44 367.23 39.28 o 0 3 -18 180.18 169.62 15.82 o 1 3 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2854.88 2859.46 81.41 o 3 0 -17 3727.45 3699.06 101.11 o 5 0 -17 1276.85 1326.54 35.49 o 7 0 -17 1659.52 1709.71 76.13 o -3 1 -17 192.06 159.39 16.13 o -2 1 -17 1481.51 1460.35 52.25 o -1 1 -17 18.03 31.78 9.22 o 0 1 -17 2505.91 2442.75 86.23 o 1 1 -17 624.03 615.95 22.56 o 2 1 -17 1706.65 1694.60 37.79 o 3 1 -17 79.12 86.10 7.63 o 4 1 -17 1507.43 1501.36 30.36 o 5 1 -17 13.08 14.99 4.40 o 6 1 -17 1993.84 2002.49 41.94 o 7 1 -17 109.02 126.42 8.89 o -3 2 -17 220.05 218.87 18.04 o -2 2 -17 180.38 190.44 16.80 o -1 2 -17 337.70 353.18 21.45 o 0 2 -17 21.03 23.93 8.31 o 1 2 -17 128.82 152.29 11.29 o 2 2 -17 2.40 -0.01 3.92 o 3 2 -17 967.69 941.78 24.77 o 4 2 -17 321.71 325.11 11.72 o 5 2 -17 516.63 556.84 17.87 o 6 2 -17 5.53 3.67 4.06 o 7 2 -17 465.01 449.48 15.85 o -3 3 -17 111.72 108.45 14.35 o -2 3 -17 370.09 393.14 23.22 o -1 3 -17 264.80 279.29 32.16 o 0 3 -17 99.26 109.23 12.71 o 1 3 -17 45.39 45.75 8.68 o 2 3 -17 17.31 16.10 4.96 o 3 3 -17 242.21 227.49 11.12 o 4 3 -17 141.61 138.01 8.87 o 5 3 -17 558.53 563.17 17.99 o 6 3 -17 263.33 248.74 10.58 o 7 3 -17 88.01 96.76 8.26 o -3 4 -17 335.25 303.76 29.98 o -2 4 -17 299.77 273.97 20.18 o -1 4 -17 462.38 463.65 24.85 o 0 4 -17 361.07 337.70 21.02 o 1 4 -17 897.63 897.42 28.18 o 2 4 -17 1287.68 1328.32 36.54 o 3 4 -17 333.58 319.23 13.15 o 4 4 -17 87.58 82.44 7.73 o 5 4 -17 177.34 191.55 10.50 o 6 4 -17 26.95 31.53 5.88 o -3 5 -17 427.98 422.92 35.39 o -2 5 -17 1595.43 1569.48 77.79 o -1 5 -17 259.10 267.34 19.55 o 0 5 -17 1147.51 1122.67 42.15 o 1 5 -17 195.45 188.84 12.44 o 2 5 -17 811.74 754.85 26.43 o 3 5 -17 469.11 508.56 20.36 o 4 5 -17 1824.95 1852.01 40.41 o 5 5 -17 59.72 61.62 7.15 o 6 5 -17 541.04 540.38 17.92 o -2 6 -17 31.98 30.36 13.95 o -1 6 -17 1489.64 1511.33 72.95 o 0 6 -17 25.79 28.91 7.32 o 1 6 -17 2604.61 2619.91 62.78 o 2 6 -17 134.95 121.00 10.33 o 3 6 -17 1216.13 1234.43 36.00 o 4 6 -17 46.14 52.62 6.92 o 5 6 -17 2685.59 2718.36 64.45 o -2 7 -17 1368.33 1464.37 72.29 o -1 7 -17 161.39 178.35 23.15 o 0 7 -17 1252.11 1291.58 46.77 o 1 7 -17 75.99 57.53 9.79 o 2 7 -17 2106.33 2111.08 87.66 o 3 7 -17 11.32 6.45 8.35 o 4 7 -17 901.30 884.13 27.91 o 5 7 -17 197.61 159.03 11.57 o -1 8 -17 570.22 588.84 40.51 o 0 8 -17 286.47 276.25 20.97 o 1 8 -17 431.22 437.72 31.50 o 2 8 -17 657.30 684.56 40.60 o 3 8 -17 51.15 59.96 13.66 o 4 8 -17 51.87 41.99 7.48 o 0 9 -17 234.06 191.73 21.25 o 1 9 -17 163.44 172.28 20.30 o 2 9 -17 438.08 425.67 31.31 o -4 0 -16 1744.90 1690.82 82.06 o -2 0 -16 2459.65 2397.96 103.78 o 0 0 -16 3231.11 3274.15 127.88 o 2 0 -16 3768.95 3650.75 101.49 o 4 0 -16 1163.55 1113.99 30.64 o 6 0 -16 1456.40 1395.47 44.37 o 8 0 -16 1424.61 1356.28 44.07 o -4 1 -16 425.62 401.58 23.78 o -3 1 -16 2301.41 2169.01 70.63 o -2 1 -16 29.49 39.89 9.54 o -1 1 -16 1492.88 1450.71 50.10 o 0 1 -16 164.12 191.82 15.21 o 1 1 -16 925.23 885.52 23.11 o 2 1 -16 431.90 410.17 14.53 o 3 1 -16 2538.92 2536.86 40.28 o 4 1 -16 67.17 75.31 5.44 o 5 1 -16 2024.96 2000.82 33.88 o 6 1 -16 96.07 84.07 6.49 o 7 1 -16 905.22 932.23 23.94 o 8 1 -16 270.53 296.53 12.48 o -4 2 -16 389.53 385.56 23.37 o -3 2 -16 129.08 125.99 29.69 o -2 2 -16 1119.33 1078.35 41.27 o -1 2 -16 30.21 36.35 9.28 o 0 2 -16 2504.72 2438.31 58.57 o 1 2 -16 195.62 199.09 9.97 o 2 2 -16 412.77 418.91 14.57 o 3 2 -16 59.26 50.40 5.28 o 4 2 -16 225.23 230.14 8.54 o 5 2 -16 331.94 343.53 10.61 o 6 2 -16 498.92 515.39 14.85 o 7 2 -16 84.17 96.46 7.90 o 8 2 -16 521.04 533.22 17.04 o -4 3 -16 147.08 159.89 15.83 o -3 3 -16 134.02 135.67 14.60 o -2 3 -16 72.04 84.79 11.96 o -1 3 -16 143.98 135.67 13.55 o 0 3 -16 65.55 73.03 8.12 o 1 3 -16 171.72 181.95 11.29 o 2 3 -16 110.52 107.36 7.77 o 3 3 -16 238.53 224.23 9.48 o 4 3 -16 51.45 51.46 4.93 o 5 3 -16 383.99 417.27 13.06 o 6 3 -16 33.51 37.80 5.25 o 7 3 -16 83.20 84.89 6.60 o 8 3 -16 156.55 155.99 9.32 o -4 4 -16 451.31 431.80 27.46 o -3 4 -16 126.00 124.59 13.92 o -2 4 -16 373.87 402.48 23.14 o -1 4 -16 177.44 178.68 15.19 o 0 4 -16 393.23 390.90 17.16 o 1 4 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73.49 80.87 8.95 o 1 7 -16 3022.45 3073.99 71.43 o 2 7 -16 213.01 210.75 12.71 o 3 7 -16 1245.95 1226.58 29.95 o 4 7 -16 3.03 7.35 4.66 o 5 7 -16 726.85 742.50 22.89 o 6 7 -16 82.25 76.48 8.63 o -2 8 -16 434.95 488.76 37.47 o -1 8 -16 12.33 30.74 13.19 o 0 8 -16 245.51 220.33 16.22 o 1 8 -16 22.75 28.60 6.66 o 2 8 -16 635.13 637.91 28.17 o 3 8 -16 54.57 59.29 6.93 o 4 8 -16 861.23 850.62 26.61 o 5 8 -16 24.15 14.78 5.63 o -2 9 -16 353.07 412.29 34.34 o -1 9 -16 251.40 263.45 26.75 o 0 9 -16 64.27 70.40 13.14 o 1 9 -16 281.00 257.37 23.81 o 2 9 -16 58.15 66.03 13.66 o 3 9 -16 61.88 64.02 12.33 o 4 9 -16 49.37 50.77 7.72 o -1 10 -16 99.37 111.75 18.97 o 0 10 -16 290.64 289.16 25.33 o 1 10 -16 47.99 36.33 11.95 o 2 10 -16 229.63 252.35 23.53 o 3 10 -16 20.56 21.72 10.44 o -5 0 -15 2085.54 2050.65 96.39 o -3 0 -15 1951.41 1902.37 87.28 o -1 0 -15 563.94 634.47 39.46 o 1 0 -15 4578.68 4497.91 247.89 o 3 0 -15 4748.99 4639.35 95.80 o 5 0 -15 4017.44 3881.83 82.10 o 7 0 -15 1296.83 1322.61 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