#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2201884.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_2201884_Fobs loop_ _publ_author_name 'Usman, Anwar' 'Fun, Hoong-Kun' 'Zhu, Hai-Liang' 'Liu, Qiong-Xin' _publ_section_title ; Bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine-\k^2^N,N']silver(I) nitrate ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m140 _journal_page_last m141 _journal_volume 59 _journal_year 2003 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 114.328 _cell_angle_gamma 90.000 _cell_length_a 13.0142 _cell_length_b 18.1020 _cell_length_c 14.1367 _exptl_crystal_F_000 1448.00 _reflns_d_resolution_high 0.7498 _[local]_cod_data_source_file ci6199Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' CI6199r C32 H28 Ag F4 N5 O3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 437.24 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 68080.29 65513.48 1351.99 o 4 0 0 10592.36 9170.90 135.08 o 6 0 0 7305.20 7323.15 113.95 o 8 0 0 1394.67 1213.24 24.55 o 10 0 0 891.50 879.48 27.70 o 12 0 0 667.34 754.07 41.24 o 3 1 0 3476.21 2624.61 38.78 o 5 1 0 4965.70 4847.26 60.72 o 7 1 0 318.87 415.27 8.91 o 9 1 0 1658.46 1705.97 25.19 o 11 1 0 210.25 226.52 11.89 o 13 1 0 357.32 447.01 30.80 o 2 2 0 1305.30 1322.84 24.72 o 4 2 0 639.17 768.63 12.30 o 6 2 0 799.60 822.55 12.31 o 8 2 0 12.92 29.46 5.42 o 10 2 0 51.87 71.83 8.58 o 12 2 0 1.04 -3.31 12.13 o 14 2 0 4.14 5.48 16.43 o 1 3 0 258.76 290.75 8.59 o 3 3 0 3235.30 2995.30 35.82 o 5 3 0 9952.54 9609.03 110.70 o 7 3 0 1361.57 1353.08 18.13 o 9 3 0 1777.45 1818.30 26.59 o 11 3 0 1499.48 1505.80 27.66 o 13 3 0 156.94 203.48 17.78 o 15 3 0 5.22 26.01 18.48 o 0 4 0 119856.42 111008.64 1995.31 o 2 4 0 28389.43 28471.67 457.15 o 4 4 0 37478.00 37468.53 423.13 o 6 4 0 10520.42 10159.88 117.56 o 8 4 0 3325.98 3127.78 40.35 o 10 4 0 1328.03 1293.15 21.75 o 12 4 0 632.19 700.41 26.86 o 14 4 0 129.80 162.58 23.62 o 1 5 0 79.11 90.39 4.72 o 3 5 0 15773.67 14539.01 270.83 o 5 5 0 6828.83 7730.84 90.07 o 7 5 0 1137.48 1125.73 20.40 o 9 5 0 1958.41 1939.18 30.48 o 11 5 0 296.89 245.68 18.70 o 13 5 0 122.53 137.73 16.58 o 15 5 0 9.47 3.42 17.80 o 0 6 0 362.72 357.39 11.74 o 2 6 0 3598.24 3190.76 50.68 o 4 6 0 166.52 190.20 10.57 o 6 6 0 9.09 8.47 3.64 o 8 6 0 222.20 272.76 11.69 o 10 6 0 214.63 211.08 12.07 o 12 6 0 0.94 -1.06 11.93 o 14 6 0 44.51 60.58 19.85 o 1 7 0 36214.41 35184.96 448.09 o 3 7 0 4782.39 4808.92 64.45 o 5 7 0 2314.02 2245.30 33.15 o 7 7 0 1828.08 1697.05 32.93 o 9 7 0 857.47 869.75 23.04 o 11 7 0 620.98 619.42 20.48 o 13 7 0 177.61 239.69 18.97 o 15 7 0 78.64 90.70 23.96 o 0 8 0 8131.98 6543.86 121.95 o 2 8 0 8767.22 8331.88 127.22 o 4 8 0 10250.08 10230.64 133.34 o 6 8 0 5323.66 5246.56 82.98 o 8 8 0 2982.81 2841.82 50.30 o 10 8 0 1334.73 1337.76 30.53 o 12 8 0 280.31 333.86 21.17 o 14 8 0 131.51 204.68 19.24 o 1 9 0 382.67 443.57 10.55 o 3 9 0 5750.69 6266.93 97.62 o 5 9 0 2162.01 2116.70 32.49 o 7 9 0 2017.39 1759.66 44.84 o 9 9 0 385.50 379.00 16.66 o 11 9 0 128.40 111.73 12.82 o 13 9 0 77.30 70.30 14.87 o 0 10 0 412.06 349.16 14.16 o 2 10 0 424.56 350.53 10.45 o 4 10 0 1916.32 2052.23 36.76 o 6 10 0 411.93 348.16 15.28 o 8 10 0 65.69 70.28 10.98 o 10 10 0 318.39 298.00 16.53 o 12 10 0 8.57 7.12 10.52 o 14 10 0 0.03 3.90 15.06 o 1 11 0 7752.60 7778.72 103.28 o 3 11 0 7582.73 7432.71 99.19 o 5 11 0 4216.69 4135.44 84.40 o 7 11 0 696.70 622.89 19.94 o 9 11 0 952.19 954.16 29.79 o 11 11 0 99.29 116.07 13.20 o 13 11 0 89.26 133.87 17.49 o 0 12 0 3308.07 3533.52 70.95 o 2 12 0 5826.86 5679.81 77.43 o 4 12 0 5032.50 4531.40 74.24 o 6 12 0 3536.52 3286.58 71.00 o 8 12 0 3108.31 2982.59 96.86 o 10 12 0 105.45 124.85 13.17 o 12 12 0 159.34 212.85 16.19 o 1 13 0 218.59 243.03 10.78 o 3 13 0 358.82 294.60 11.44 o 5 13 0 651.39 557.71 23.47 o 7 13 0 782.27 745.24 27.83 o 9 13 0 102.81 79.37 15.22 o 11 13 0 319.86 294.12 48.43 o 13 13 0 15.12 25.29 15.00 o 0 14 0 253.16 229.49 16.58 o 2 14 0 219.74 226.50 11.41 o 4 14 0 154.32 190.69 36.79 o 6 14 0 62.73 61.38 14.25 o 8 14 0 149.98 209.62 18.62 o 10 14 0 15.11 13.73 13.04 o 12 14 0 69.05 108.84 30.80 o 1 15 0 1746.23 1617.03 28.02 o 3 15 0 1579.31 1390.80 29.77 o 5 15 0 1377.24 1216.53 41.93 o 7 15 0 111.98 143.49 17.05 o 9 15 0 275.30 310.51 20.93 o 11 15 0 197.48 201.79 19.94 o 0 16 0 3598.29 3452.00 88.65 o 2 16 0 2157.80 2045.43 39.76 o 4 16 0 1813.85 1620.13 42.69 o 6 16 0 788.39 742.04 27.71 o 8 16 0 506.84 579.63 26.02 o 10 16 0 102.20 116.40 17.41 o 1 17 0 228.66 208.64 13.75 o 3 17 0 80.88 99.92 21.73 o 5 17 0 104.17 89.17 39.02 o 7 17 0 32.87 20.88 13.80 o 9 17 0 10.26 -5.13 15.40 o 11 17 0 13.04 16.92 43.30 o 0 18 0 78.98 99.60 20.54 o 2 18 0 0.63 -2.56 8.49 o 4 18 0 54.47 92.59 23.62 o 6 18 0 206.72 218.95 19.23 o 8 18 0 82.66 130.66 17.66 o 10 18 0 8.96 -2.62 14.25 o 1 19 0 132.84 158.07 15.71 o 3 19 0 305.06 355.97 20.93 o 5 19 0 641.28 661.06 27.23 o 7 19 0 296.11 298.87 33.37 o 9 19 0 100.68 142.08 19.24 o 0 20 0 679.02 592.82 35.60 o 2 20 0 502.84 523.34 33.54 o 4 20 0 232.24 236.66 30.80 o 6 20 0 172.24 204.45 18.86 o 8 20 0 200.90 238.50 31.66 o 1 21 0 23.64 6.50 17.11 o 3 21 0 0.84 5.13 18.48 o 5 21 0 6.47 -7.50 12.69 o 7 21 0 12.23 34.15 15.36 o 0 22 0 60.64 68.46 19.51 o 2 22 0 49.41 59.56 22.25 o 4 22 0 67.01 79.41 24.99 o 6 22 0 17.18 25.88 15.00 o 1 23 0 175.38 237.88 26.01 o 3 23 0 150.74 227.61 27.72 o -13 1 1 226.11 260.81 15.50 o -11 1 1 656.02 725.64 18.34 o -9 1 1 425.17 473.51 12.21 o -7 1 1 6731.60 6831.83 77.51 o -5 1 1 13316.43 11551.47 120.11 o -3 1 1 159.34 172.48 7.37 o 1 1 1 7138.00 6754.95 87.38 o 3 1 1 35453.13 38267.90 429.93 o 5 1 1 7309.78 7218.12 76.33 o 7 1 1 3646.66 3930.18 44.20 o 9 1 1 657.10 631.56 14.04 o 11 1 1 1048.91 1051.18 25.69 o 13 1 1 223.29 232.59 18.63 o -14 2 1 240.16 264.68 19.29 o -12 2 1 2176.40 2159.94 67.89 o -10 2 1 1381.48 1306.33 24.40 o -8 2 1 4886.68 4522.90 55.00 o -6 2 1 9065.87 7984.93 84.24 o -4 2 1 44568.96 42318.55 529.09 o -2 2 1 24.36 53.20 3.77 o 0 2 1 9520.02 11613.46 217.58 o 2 2 1 96093.37 93435.02 1052.70 o 4 2 1 35313.68 34798.60 356.61 o 6 2 1 13708.92 14149.00 147.33 o 8 2 1 3980.01 3702.44 42.55 o 10 2 1 3318.81 3321.31 48.94 o 12 2 1 953.47 1035.17 32.43 o 14 2 1 102.18 174.22 24.64 o -15 3 1 42.68 72.90 20.54 o -13 3 1 227.85 231.85 18.94 o -11 3 1 840.94 858.75 23.24 o -9 3 1 678.70 777.98 15.10 o -7 3 1 1384.61 1370.93 19.90 o -5 3 1 312.60 235.22 13.25 o -3 3 1 2125.31 1958.31 27.07 o -1 3 1 353.90 495.88 8.17 o 1 3 1 22465.96 22023.99 707.83 o 3 3 1 63.94 97.52 4.31 o 5 3 1 3775.68 3460.91 42.43 o 7 3 1 1485.08 1460.77 19.59 o 9 3 1 632.33 617.33 14.33 o 11 3 1 855.75 916.34 24.10 o 13 3 1 166.65 175.25 24.30 o 15 3 1 75.75 117.40 22.59 o -14 4 1 2.33 -14.38 18.48 o -12 4 1 8.78 22.90 9.86 o -10 4 1 16.41 4.32 6.26 o -8 4 1 15.55 21.97 5.34 o -6 4 1 9483.55 9447.96 121.61 o -4 4 1 3620.60 3777.10 50.12 o -2 4 1 140.53 109.05 6.32 o 0 4 1 953.34 869.87 15.46 o 2 4 1 3584.97 3488.00 46.75 o 4 4 1 149.15 145.18 6.47 o 6 4 1 303.65 263.38 8.54 o 8 4 1 165.34 215.45 9.87 o 10 4 1 13.86 24.78 7.78 o 12 4 1 6.99 1.14 11.74 o 14 4 1 45.03 28.75 18.83 o -15 5 1 70.82 104.05 22.93 o -13 5 1 125.40 160.53 33.20 o -11 5 1 7.11 -3.42 8.62 o -9 5 1 2732.92 2673.51 36.00 o -7 5 1 11682.80 11607.48 149.05 o -5 5 1 19196.74 19848.50 250.28 o -3 5 1 12503.55 12324.33 181.23 o -1 5 1 546.53 517.86 9.49 o 1 5 1 1133.33 1260.06 21.97 o 3 5 1 5209.09 4894.92 69.85 o 5 5 1 4583.58 4389.14 53.06 o 7 5 1 4694.05 4590.51 63.01 o 9 5 1 496.06 496.51 15.06 o 11 5 1 173.92 218.28 17.29 o 13 5 1 214.85 216.32 24.99 o 15 5 1 18.13 11.98 18.83 o -14 6 1 273.59 322.26 21.44 o -12 6 1 631.25 705.49 27.41 o -10 6 1 1278.46 1330.01 25.58 o -8 6 1 4714.43 4454.92 61.66 o -6 6 1 5105.32 5002.34 66.91 o -4 6 1 29488.25 28115.70 1074.63 o -2 6 1 29809.78 27615.53 312.50 o 0 6 1 17195.43 16754.47 214.44 o 2 6 1 7235.68 7333.65 111.88 o 4 6 1 6306.58 5813.06 77.36 o 6 6 1 6271.17 5959.48 71.32 o 8 6 1 4732.26 4692.10 58.05 o 10 6 1 799.01 816.91 22.92 o 12 6 1 425.81 455.52 24.81 o 14 6 1 47.38 77.01 22.25 o -15 7 1 66.66 131.49 17.78 o -13 7 1 36.22 29.15 13.39 o -11 7 1 604.02 589.83 17.56 o -9 7 1 760.36 640.70 19.78 o -7 7 1 144.13 155.79 10.45 o -5 7 1 2141.46 2264.79 48.32 o -3 7 1 1507.30 1597.05 24.22 o -1 7 1 24863.14 24233.54 309.30 o 1 7 1 6589.21 6260.24 96.07 o 3 7 1 495.72 625.51 28.92 o 5 7 1 3788.83 3507.77 49.32 o 7 7 1 1223.28 1175.38 21.84 o 9 7 1 374.46 329.49 16.13 o 11 7 1 19.90 2.22 9.39 o 13 7 1 10.14 15.74 17.46 o -14 8 1 0.03 -12.66 12.66 o -12 8 1 96.06 107.65 15.73 o -10 8 1 3.06 -3.72 8.94 o -8 8 1 2.06 14.93 9.55 o -6 8 1 1437.15 1403.57 28.12 o -4 8 1 1349.27 1243.87 38.80 o -2 8 1 586.17 522.80 11.03 o 0 8 1 290.07 253.09 8.18 o 2 8 1 2725.48 2830.85 46.60 o 4 8 1 257.43 202.48 10.34 o 6 8 1 238.68 210.99 13.17 o 8 8 1 169.56 198.93 13.21 o 10 8 1 429.23 433.39 17.72 o 12 8 1 52.63 51.78 13.63 o 14 8 1 2.53 0.34 18.48 o -15 9 1 52.52 82.73 35.43 o -13 9 1 146.04 194.74 18.75 o -11 9 1 476.79 465.09 18.89 o -9 9 1 1246.08 1252.70 28.72 o -7 9 1 1220.02 1252.59 27.47 o -5 9 1 3874.35 3903.96 62.24 o -3 9 1 9515.19 8762.53 114.85 o -1 9 1 141.91 61.25 4.88 o 1 9 1 2215.90 2136.77 31.46 o 3 9 1 12416.56 12537.76 190.19 o 5 9 1 3518.12 3473.07 57.65 o 7 9 1 2050.52 1861.37 36.40 o 9 9 1 2082.14 1936.10 38.85 o 11 9 1 310.50 325.50 17.99 o 13 9 1 30.36 44.09 28.75 o -14 10 1 126.10 150.67 54.94 o -12 10 1 498.27 552.94 21.90 o -10 10 1 666.21 681.50 21.54 o -8 10 1 1408.94 1350.76 31.82 o -6 10 1 2427.02 2394.54 43.12 o -4 10 1 7392.91 7277.94 96.73 o -2 10 1 7541.55 6604.63 87.93 o 0 10 1 3167.30 2417.35 35.34 o 2 10 1 8146.03 7866.42 121.54 o 4 10 1 4360.96 4323.19 70.36 o 6 10 1 1249.45 1153.54 48.95 o 8 10 1 2608.56 2495.80 46.66 o 10 10 1 753.67 769.22 23.11 o 12 10 1 266.71 317.77 17.18 o -13 11 1 26.47 12.49 13.55 o -11 11 1 8.78 -2.14 11.11 o -9 11 1 319.19 273.22 16.00 o -7 11 1 1027.25 897.71 23.97 o -5 11 1 762.34 696.48 24.44 o -3 11 1 453.17 537.36 12.89 o -1 11 1 3427.47 3820.19 53.41 o 1 11 1 1251.26 1142.23 20.31 o 3 11 1 576.06 481.61 15.39 o 5 11 1 335.11 289.66 18.15 o 7 11 1 800.46 784.32 27.70 o 9 11 1 19.22 5.87 12.58 o 11 11 1 4.31 -9.66 9.66 o 13 11 1 99.09 78.72 22.93 o -14 12 1 4.40 8.97 13.91 o -12 12 1 2.25 -9.89 9.89 o -10 12 1 35.63 56.49 11.32 o -8 12 1 743.22 748.44 23.12 o -6 12 1 0.34 -9.54 14.38 o -4 12 1 254.62 254.39 19.70 o -2 12 1 756.16 733.53 16.11 o 0 12 1 321.10 255.50 9.99 o 2 12 1 299.90 294.61 11.53 o 4 12 1 40.27 55.41 8.30 o 6 12 1 103.42 112.30 14.85 o 8 12 1 15.60 13.15 26.18 o 10 12 1 5.87 38.16 13.91 o 12 12 1 3.65 12.66 20.54 o -13 13 1 251.80 318.83 18.64 o -11 13 1 90.41 120.11 13.28 o -9 13 1 806.13 818.68 29.40 o -7 13 1 1068.11 1011.01 38.68 o -5 13 1 465.31 480.89 34.74 o -3 13 1 2871.93 2842.04 49.84 o -1 13 1 2297.18 2262.69 34.98 o 1 13 1 3683.07 3405.11 49.32 o 3 13 1 2500.73 2262.64 35.77 o 5 13 1 1307.60 1295.18 36.15 o 7 13 1 2074.03 1938.14 48.75 o 9 13 1 183.67 236.92 18.97 o 11 13 1 63.44 81.98 17.00 o -12 14 1 717.87 773.51 31.46 o -10 14 1 301.42 308.58 20.45 o -8 14 1 224.54 254.30 19.12 o -6 14 1 279.77 250.68 18.75 o -4 14 1 405.65 398.60 20.45 o -2 14 1 3259.13 3363.34 57.92 o 0 14 1 5799.95 5715.55 78.96 o 2 14 1 3419.72 3271.50 48.38 o 4 14 1 1521.86 1513.78 45.35 o 6 14 1 1663.72 1614.58 42.81 o 8 14 1 513.57 484.25 23.96 o 10 14 1 396.26 401.26 23.22 o 12 14 1 170.54 206.33 21.13 o -11 15 1 52.50 92.11 17.18 o -9 15 1 98.93 107.03 16.34 o -7 15 1 143.65 165.06 19.51 o -5 15 1 0.52 -11.72 11.72 o -3 15 1 20.52 8.23 7.93 o -1 15 1 308.46 311.24 12.16 o 1 15 1 374.19 354.95 12.87 o 3 15 1 115.51 143.14 11.80 o 5 15 1 219.03 210.19 18.26 o 7 15 1 25.67 17.43 13.18 o 9 15 1 1.60 19.35 13.50 o 11 15 1 12.01 16.91 23.27 o -12 16 1 49.26 92.07 25.33 o -10 16 1 29.78 36.05 14.91 o -8 16 1 80.37 91.84 16.32 o -6 16 1 147.91 162.82 17.67 o -4 16 1 862.15 900.51 30.13 o -2 16 1 353.72 372.45 15.98 o 0 16 1 197.30 194.08 11.43 o 2 16 1 227.14 196.51 13.07 o 4 16 1 83.77 91.05 14.71 o 6 16 1 24.43 23.30 13.04 o 8 16 1 54.92 83.17 15.92 o 10 16 1 24.55 30.25 14.57 o -11 17 1 98.86 153.57 18.99 o -9 17 1 186.62 208.34 19.24 o -7 17 1 489.16 442.24 23.23 o -5 17 1 273.86 261.42 18.76 o -3 17 1 704.38 680.24 26.14 o -1 17 1 1163.37 1127.33 26.87 o 1 17 1 1107.26 1011.47 24.79 o 3 17 1 436.69 430.78 21.05 o 5 17 1 462.08 458.21 23.20 o 7 17 1 294.19 290.14 20.67 o 9 17 1 91.54 156.95 18.62 o -10 18 1 115.10 148.53 27.90 o -8 18 1 248.85 247.36 20.12 o -6 18 1 672.68 653.88 27.59 o -4 18 1 625.02 636.07 26.02 o -2 18 1 392.73 390.18 20.57 o 0 18 1 880.99 863.15 29.27 o 2 18 1 1391.52 1358.02 30.69 o 4 18 1 1066.77 1066.21 33.86 o 6 18 1 304.84 266.29 19.96 o 8 18 1 59.53 62.37 19.17 o 10 18 1 100.70 151.23 18.46 o -9 19 1 7.15 1.63 17.28 o -7 19 1 10.62 11.72 13.39 o -5 19 1 48.32 42.71 19.00 o -3 19 1 97.15 101.18 15.85 o -1 19 1 2.97 -9.68 10.64 o 1 19 1 32.08 49.48 12.62 o 3 19 1 86.71 109.34 15.09 o 5 19 1 1.33 -12.21 12.21 o 7 19 1 0.13 9.77 12.82 o 9 19 1 22.77 3.06 14.40 o -8 20 1 64.88 62.84 16.72 o -6 20 1 19.30 -3.66 23.45 o -4 20 1 45.06 55.63 14.88 o -2 20 1 63.73 87.62 21.56 o 0 20 1 111.50 129.98 16.08 o 2 20 1 73.14 100.63 21.91 o 4 20 1 112.97 164.61 17.38 o 6 20 1 54.20 55.79 15.47 o 8 20 1 20.53 -4.11 20.54 o -7 21 1 56.23 79.48 19.34 o -5 21 1 115.23 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