#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:27:23 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181048 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/28/2212857.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_2212857_Fobs loop_ _publ_author_name 'Zhang, Dao-Peng' 'Dou, Jian-Min' 'Li, Da-Cheng' 'Wang, Da-Qi' _publ_section_title ; Di-\m-chlorido-bis{[1,2-bis(diphenylphosphino)-1,2-dicarba-closo-dodecaborane-\k^2^P,P']silver(I)} dichloromethane disolvate ; _journal_coeditor_code ER2021 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1086 _journal_page_last m1088 _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 86.838 _cell_angle_beta 82.515 _cell_angle_gamma 86.999 _cell_length_a 10.0887 _cell_length_b 11.9737 _cell_length_c 13.9695 _exptl_crystal_F_000 744.00 _reflns_d_resolution_high 0.8406 _cod_data_source_file er2021Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 050920a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 195.11 _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 9243.29 8458.13 128.52 o 2 0 0 819.56 926.45 21.93 o 3 0 0 2753.69 2682.51 52.31 o 4 0 0 26.16 36.04 7.69 o 5 0 0 6382.14 6514.72 117.54 o 6 0 0 421.60 337.53 21.30 o 7 0 0 77.45 74.11 13.94 o 8 0 0 616.68 598.53 32.05 o 9 0 0 346.61 382.62 17.90 o 10 0 0 834.90 860.52 28.49 o 11 0 0 200.35 188.03 17.52 o -11 1 0 53.94 80.99 13.51 o -10 1 0 449.59 460.39 27.62 o -9 1 0 0.30 -6.46 11.61 o -8 1 0 124.03 89.79 17.10 o -7 1 0 936.16 923.89 39.30 o -6 1 0 1069.21 1061.65 38.87 o -5 1 0 158.72 176.81 15.14 o -4 1 0 1338.01 1359.69 38.04 o -3 1 0 2906.69 3455.64 65.99 o -2 1 0 9507.59 10603.57 228.73 o -1 1 0 7701.24 7953.93 84.90 o 1 1 0 631.07 540.79 13.21 o 2 1 0 6990.32 7964.16 121.16 o 3 1 0 70.99 78.67 6.76 o 4 1 0 3916.43 3851.78 71.58 o 5 1 0 5319.33 5291.44 97.14 o 6 1 0 166.57 174.15 14.38 o 7 1 0 982.69 1077.89 38.80 o 8 1 0 508.96 480.81 20.25 o 9 1 0 510.87 429.18 20.50 o 10 1 0 415.93 400.25 19.28 o -11 2 0 168.68 160.58 18.53 o -10 2 0 20.59 45.69 16.34 o -9 2 0 766.72 821.06 43.63 o -8 2 0 2024.14 2144.61 68.95 o -7 2 0 2083.52 2236.82 66.39 o -6 2 0 602.92 722.82 32.75 o -5 2 0 57.68 35.04 9.68 o -4 2 0 267.22 322.21 18.67 o -3 2 0 739.04 995.09 20.40 o -2 2 0 2381.09 2508.95 34.61 o -1 2 0 263.55 323.46 9.54 o 0 2 0 365.55 258.42 19.30 o 1 2 0 20.65 45.79 5.06 o 2 2 0 4896.27 5359.48 154.13 o 3 2 0 3945.76 4117.21 37.75 o 4 2 0 10767.90 11125.40 93.43 o 5 2 0 5559.86 5806.90 65.46 o 6 2 0 377.16 418.83 15.02 o 7 2 0 602.24 631.43 18.22 o 8 2 0 67.50 84.67 10.14 o 9 2 0 126.25 153.79 13.51 o 10 2 0 10.14 -3.93 11.81 o 11 2 0 3.91 5.46 14.14 o -11 3 0 39.29 48.26 13.58 o -10 3 0 150.97 142.50 24.46 o -9 3 0 460.05 529.18 36.31 o -8 3 0 369.67 361.73 29.02 o -7 3 0 191.01 200.24 20.87 o -6 3 0 504.06 457.30 27.32 o -5 3 0 87.56 95.64 14.44 o -4 3 0 37.87 37.13 8.87 o -3 3 0 2755.80 2473.75 38.50 o -2 3 0 5222.33 4732.25 64.64 o -1 3 0 1798.74 1951.91 28.28 o 0 3 0 629.31 636.51 14.58 o 1 3 0 2068.30 1768.00 37.10 o 2 3 0 2379.82 2717.68 53.04 o 3 3 0 18796.89 19041.85 234.41 o 4 3 0 8228.81 8684.67 98.44 o 5 3 0 468.38 447.10 16.62 o 6 3 0 340.58 333.14 10.00 o 7 3 0 227.30 181.87 9.61 o 8 3 0 1396.37 1477.99 52.71 o 9 3 0 303.85 331.56 26.69 o 10 3 0 7.90 0.37 12.01 o 11 3 0 0.08 1.40 13.34 o -11 4 0 0.32 -9.73 9.73 o -10 4 0 155.17 75.81 20.43 o -9 4 0 772.16 686.28 42.96 o -8 4 0 22.65 8.75 11.98 o -7 4 0 726.43 723.16 37.94 o -6 4 0 320.63 318.05 24.06 o -5 4 0 1672.34 1760.26 36.76 o -4 4 0 6008.50 5853.88 78.37 o -3 4 0 4048.05 3986.00 56.33 o -2 4 0 704.44 742.83 17.85 o -1 4 0 764.17 858.15 17.88 o 0 4 0 1619.34 1703.64 25.98 o 1 4 0 7035.02 7001.48 78.27 o 2 4 0 7101.14 6972.25 116.64 o 3 4 0 3065.54 2909.29 37.47 o 4 4 0 1733.23 1625.28 25.69 o 5 4 0 34.95 37.76 5.42 o 6 4 0 599.72 577.28 21.63 o 7 4 0 836.86 825.55 36.37 o 8 4 0 2369.92 2428.07 70.98 o 9 4 0 317.33 282.61 25.96 o 10 4 0 34.02 10.02 12.18 o 11 4 0 34.28 25.99 15.08 o -10 5 0 561.18 532.01 40.13 o -9 5 0 206.26 210.86 29.32 o -8 5 0 17.11 -9.72 10.22 o -7 5 0 27.63 -3.36 11.15 o -6 5 0 292.70 358.32 17.77 o -5 5 0 3575.27 3737.34 61.33 o -4 5 0 2885.81 3046.37 50.88 o -3 5 0 314.99 260.00 15.83 o -2 5 0 26.03 33.16 5.54 o -1 5 0 1655.38 1682.76 29.31 o 0 5 0 7168.22 7252.05 156.97 o 1 5 0 4494.90 4519.09 55.27 o 2 5 0 1747.98 1810.63 44.79 o 3 5 0 1592.80 1513.90 42.00 o 4 5 0 588.95 712.14 14.97 o 5 5 0 2274.10 2253.32 58.67 o 6 5 0 1115.96 1046.91 39.70 o 7 5 0 927.65 965.18 40.47 o 8 5 0 2206.01 2142.98 66.52 o 9 5 0 412.00 357.04 28.29 o 10 5 0 1.41 4.36 11.98 o 11 5 0 0.85 -13.31 13.31 o -10 6 0 761.68 845.55 51.45 o -9 6 0 101.06 114.91 24.49 o -8 6 0 227.79 227.20 28.82 o -7 6 0 186.12 135.38 15.01 o -6 6 0 63.65 44.04 11.40 o -5 6 0 258.24 225.91 14.20 o -4 6 0 0.27 -1.96 4.87 o -3 6 0 2417.45 2586.80 56.71 o -2 6 0 424.09 481.57 28.93 o -1 6 0 5653.16 5844.06 76.11 o 0 6 0 6410.39 6270.84 77.00 o 1 6 0 1242.43 1144.13 21.43 o 2 6 0 141.21 97.44 6.11 o 3 6 0 89.74 110.62 13.58 o 4 6 0 8.37 -2.06 5.92 o 5 6 0 1476.13 1393.40 45.99 o 6 6 0 456.74 472.41 27.55 o 7 6 0 564.01 566.58 31.85 o 8 6 0 471.59 491.41 31.95 o 9 6 0 31.36 23.76 15.37 o 10 6 0 196.24 147.46 24.23 o 11 6 0 29.60 43.96 18.50 o -10 7 0 269.29 255.38 34.81 o -9 7 0 1.34 -12.38 12.38 o -8 7 0 287.21 319.21 30.98 o -7 7 0 4.84 4.37 8.04 o -6 7 0 1764.65 1753.29 47.85 o -5 7 0 419.32 413.87 46.11 o -4 7 0 949.19 913.48 27.45 o -3 7 0 1633.28 1693.61 37.30 o -2 7 0 123.28 82.54 11.13 o -1 7 0 5720.85 5711.01 153.08 o 0 7 0 5322.47 5336.38 69.97 o 1 7 0 268.33 254.10 17.56 o 2 7 0 2.83 2.37 2.82 o 3 7 0 117.91 93.75 13.94 o 4 7 0 1676.72 1722.95 51.91 o 5 7 0 2471.87 2667.83 71.05 o 6 7 0 596.61 638.10 33.18 o 7 7 0 708.66 700.49 37.17 o 8 7 0 2.23 -0.80 12.51 o 9 7 0 359.71 319.54 29.78 o 10 7 0 617.25 605.88 40.67 o -9 8 0 137.14 120.44 26.36 o -8 8 0 1137.53 1206.24 40.88 o -7 8 0 319.62 289.60 19.81 o -6 8 0 608.05 634.46 32.25 o -5 8 0 7.60 4.16 7.05 o -4 8 0 40.39 42.56 8.97 o -3 8 0 12.47 -0.14 5.00 o -2 8 0 823.91 810.82 24.05 o -1 8 0 1884.41 2067.74 39.12 o 0 8 0 0.43 2.45 4.17 o 1 8 0 115.01 105.43 14.64 o 2 8 0 44.96 45.43 12.15 o 3 8 0 2248.81 2152.73 60.17 o 4 8 0 6234.16 6278.71 125.72 o 5 8 0 750.27 778.86 37.07 o 6 8 0 730.95 626.38 34.24 o 7 8 0 426.45 428.45 31.15 o 8 8 0 30.38 31.78 15.77 o 9 8 0 22.65 23.30 15.18 o 10 8 0 130.30 173.75 27.02 o -8 9 0 376.73 363.17 24.07 o -7 9 0 568.98 595.09 28.27 o -6 9 0 753.02 787.50 73.53 o -5 9 0 0.26 -6.10 6.21 o -4 9 0 80.04 88.56 12.36 o -3 9 0 237.36 268.37 15.77 o -2 9 0 707.90 785.44 24.94 o -1 9 0 41.48 44.22 8.87 o 0 9 0 1722.17 1788.14 55.67 o 1 9 0 340.69 240.11 20.47 o 2 9 0 2127.57 1994.49 60.10 o 3 9 0 4365.66 4249.38 97.20 o 4 9 0 2187.38 2080.65 63.29 o 5 9 0 67.01 55.88 14.58 o 6 9 0 483.22 419.80 30.05 o 7 9 0 44.94 28.62 13.98 o 8 9 0 201.40 224.83 28.35 o 9 9 0 2.47 -2.96 14.61 o -8 10 0 8.50 1.20 11.89 o -7 10 0 50.22 33.67 12.74 o -6 10 0 43.48 27.28 12.24 o -5 10 0 36.16 47.67 11.38 o -4 10 0 228.44 253.76 19.45 o -3 10 0 172.46 172.88 29.20 o -2 10 0 148.12 131.40 14.81 o -1 10 0 47.63 21.47 11.38 o 0 10 0 765.10 778.73 37.80 o 1 10 0 355.88 286.57 24.63 o 2 10 0 809.64 801.02 38.07 o 3 10 0 986.70 993.74 43.79 o 4 10 0 360.31 342.63 26.52 o 5 10 0 255.56 235.18 23.99 o 6 10 0 22.27 8.15 11.65 o 7 10 0 266.10 262.94 29.42 o 8 10 0 742.55 690.48 42.96 o -7 11 0 6.66 -0.56 11.54 o -6 11 0 132.50 123.61 23.99 o -5 11 0 1090.61 1161.88 38.86 o -4 11 0 427.76 443.26 23.19 o -3 11 0 21.14 15.19 8.85 o -2 11 0 61.92 61.03 16.64 o -1 11 0 8.97 2.46 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830.08 41.70 o 2 -11 1 107.65 127.29 22.06 o 3 -11 1 7.93 -2.90 10.55 o 4 -11 1 14.38 13.33 10.65 o 5 -11 1 398.56 352.93 22.35 o 6 -11 1 529.99 571.22 28.61 o 7 -11 1 8.25 11.47 11.45 o -8 -10 1 501.95 501.16 35.87 o -7 -10 1 1408.74 1404.45 58.10 o -6 -10 1 86.80 91.98 19.40 o -5 -10 1 385.75 392.04 28.59 o -4 -10 1 110.29 105.66 19.10 o -3 -10 1 311.08 339.46 25.99 o -2 -10 1 852.88 775.57 37.87 o -1 -10 1 88.23 59.30 15.57 o 0 -10 1 1031.79 1068.41 44.86 o 1 -10 1 468.95 421.13 28.42 o 2 -10 1 287.17 322.21 17.44 o 3 -10 1 33.13 24.54 17.27 o 4 -10 1 119.34 97.11 13.57 o 5 -10 1 1099.62 1145.04 37.06 o 6 -10 1 912.60 990.82 41.36 o 7 -10 1 40.50 28.28 12.44 o 8 -10 1 3.93 7.12 12.27 o -9 -9 1 91.95 102.60 21.86 o -8 -9 1 512.80 497.80 35.27 o -7 -9 1 427.14 388.35 29.68 o -6 -9 1 12.44 -10.98 10.98 o -5 -9 1 0.35 -6.46 8.95 o -4 -9 1 330.06 335.54 25.49 o -3 -9 1 1223.97 1215.66 46.26 o -2 -9 1 3419.22 3280.70 81.53 o -1 -9 1 1151.31 1059.39 41.86 o 0 -9 1 712.39 738.66 34.58 o 1 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1326.91 43.03 o -2 -7 1 89.64 86.33 12.85 o -1 -7 1 1.37 7.02 3.70 o 0 -7 1 237.04 303.31 17.70 o 1 -7 1 2948.89 3115.28 63.66 o 2 -7 1 2441.74 2449.82 43.68 o 3 -7 1 216.62 189.06 14.44 o 4 -7 1 2202.08 2284.24 46.06 o 5 -7 1 37.87 36.74 8.95 o 6 -7 1 1328.84 1349.00 37.87 o 7 -7 1 59.13 26.86 9.89 o 8 -7 1 41.07 27.69 15.21 o 9 -7 1 564.26 538.60 40.03 o 10 -7 1 0.09 -12.98 17.74 o -10 -6 1 440.59 413.34 32.05 o -9 -6 1 572.11 536.33 34.91 o -8 -6 1 325.86 402.23 29.28 o -7 -6 1 385.06 344.19 26.02 o -6 -6 1 148.83 144.46 18.07 o -5 -6 1 770.94 635.87 30.12 o -4 -6 1 1258.88 1192.90 39.77 o -3 -6 1 84.01 56.38 11.01 o -2 -6 1 269.52 267.13 17.34 o -1 -6 1 7183.05 7266.36 84.61 o 0 -6 1 3812.51 3754.73 51.31 o 1 -6 1 10622.38 10487.81 354.56 o 2 -6 1 7057.42 6879.95 68.41 o 3 -6 1 2565.95 2452.67 68.34 o 4 -6 1 1571.49 1626.43 36.04 o 5 -6 1 15.92 3.78 8.07 o 6 -6 1 587.16 544.64 23.01 o 7 -6 1 255.45 281.86 18.22 o 8 -6 1 163.48 184.16 27.45 o 9 -6 1 65.25 104.53 21.63 o 10 -6 1 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