#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:54:58 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180809 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/40/2014040.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_2014040_Fobs loop_ _publ_author_name 'Zheng, Yan' 'Wang, Shu-Li' _publ_section_title ; catena-Poly[[silver(I)-\m~3~-2,2'-[o-phenylenebis(methylenethio)]dianiline-\k^4^N:S,S':N'] nitrate chloroform solvate] ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m278 _journal_page_last m279 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 102.385 _cell_angle_beta 98.580 _cell_angle_gamma 101.351 _cell_length_a 9.4410 _cell_length_b 9.8046 _cell_length_c 13.9359 _exptl_crystal_F_000 644.00 _reflns_d_resolution_high 0.8400 _cod_data_source_file na1660Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 010415C in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 196.80 _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 3 0 0 2599.56 2922.20 91.02 o 4 0 0 46.24 52.28 35.87 o 5 0 0 2723.43 2741.29 117.61 o 6 0 0 3133.90 3305.15 144.74 o 7 0 0 1616.63 1533.26 107.91 o 8 0 0 1730.42 1489.60 111.98 o 9 0 0 375.38 438.59 103.06 o 10 0 0 151.22 250.67 98.03 o -10 1 0 91.22 75.09 77.43 o -9 1 0 139.33 346.91 90.48 o -8 1 0 199.51 186.36 73.84 o -7 1 0 21.33 155.94 64.20 o -6 1 0 535.75 570.57 69.29 o -5 1 0 147.77 170.97 23.65 o -4 1 0 16.84 27.13 14.49 o -3 1 0 2188.64 2181.20 40.48 o -2 1 0 22863.39 23365.25 229.59 o -1 1 0 161.08 94.74 11.62 o 0 1 0 77.14 57.49 9.34 o 1 1 0 1400.77 1408.82 32.22 o 2 1 0 2561.94 3419.77 81.92 o 3 1 0 467.37 492.36 45.87 o 4 1 0 354.59 500.39 54.43 o 5 1 0 2710.20 2701.47 115.40 o 6 1 0 1481.95 1613.02 105.99 o 7 1 0 299.31 383.49 80.00 o 8 1 0 299.32 431.82 94.80 o 9 1 0 237.67 232.17 78.21 o 10 1 0 0.00 -0.54 57.67 o -11 2 0 7.40 -52.04 95.39 o -10 2 0 7.40 42.70 78.87 o -9 2 0 516.92 416.85 98.39 o -8 2 0 1185.77 1216.41 110.31 o -7 2 0 2123.26 2248.87 128.03 o -6 2 0 3006.34 3080.35 69.94 o -5 2 0 1172.83 1516.85 48.57 o -4 2 0 6366.11 6430.77 89.29 o -3 2 0 2525.59 2301.03 55.09 o -2 2 0 4458.53 4599.24 66.23 o -1 2 0 1807.94 1594.88 35.21 o 0 2 0 12648.88 13340.83 112.70 o 1 2 0 6161.11 6196.33 95.99 o 2 2 0 10253.87 10240.78 173.54 o 3 2 0 8038.01 8489.39 90.79 o 4 2 0 6117.54 6843.25 163.18 o 5 2 0 2944.80 2842.91 118.69 o 6 2 0 1254.21 1161.68 92.64 o 7 2 0 740.72 782.38 103.36 o 8 2 0 749.17 949.33 121.02 o 9 2 0 643.88 823.82 126.83 o 10 2 0 143.67 135.40 65.39 o -11 3 0 71.93 -83.42 83.42 o -10 3 0 95.36 116.41 83.18 o -9 3 0 96.55 94.32 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40.64 o 5 4 0 140.31 167.49 62.70 o 6 4 0 1637.47 1812.74 122.88 o 7 4 0 2816.29 2608.89 104.98 o 8 4 0 350.12 365.95 68.93 o 9 4 0 119.27 196.00 70.30 o -10 5 0 57.98 17.01 84.62 o -9 5 0 26.77 84.62 83.12 o -8 5 0 28.18 20.84 67.07 o -7 5 0 165.43 175.34 46.77 o -6 5 0 267.75 332.47 50.66 o -5 5 0 21.69 -8.02 28.98 o -4 5 0 163.85 142.10 32.04 o -3 5 0 990.33 927.48 46.77 o -2 5 0 1254.56 1190.64 41.77 o -1 5 0 162.38 160.62 25.40 o 0 5 0 46.87 50.18 22.77 o 1 5 0 49.25 16.23 24.55 o 2 5 0 648.33 583.16 34.14 o 3 5 0 78.47 50.20 25.45 o 4 5 0 28.36 1.63 26.37 o 5 5 0 133.97 157.25 48.15 o 6 5 0 393.09 471.58 65.03 o 7 5 0 344.79 404.15 70.60 o 8 5 0 33.76 18.26 58.75 o -10 6 0 15.91 -28.74 94.62 o -9 6 0 254.39 158.39 89.23 o -8 6 0 951.78 1008.56 71.26 o -7 6 0 977.97 922.03 63.00 o -6 6 0 1215.49 1227.61 66.41 o -5 6 0 1139.71 942.93 57.01 o -4 6 0 288.27 289.90 43.95 o -3 6 0 2876.40 2767.46 81.02 o -2 6 0 602.76 634.81 32.52 o -1 6 0 181.23 107.66 29.53 o 0 6 0 3696.83 3800.56 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o 2 8 0 963.07 832.77 65.32 o 3 8 0 411.16 384.63 83.72 o 4 8 0 46.72 23.65 77.73 o 5 8 0 443.21 242.11 102.16 o -8 9 0 149.78 199.53 70.48 o -7 9 0 0.01 29.82 61.68 o -6 9 0 176.00 160.97 60.24 o -5 9 0 23.21 -23.89 53.42 o -4 9 0 2.36 -10.90 54.31 o -3 9 0 367.78 376.19 104.32 o -2 9 0 21.13 -76.53 76.53 o -1 9 0 14.45 55.45 78.81 o 0 9 0 23.10 -19.22 73.12 o 1 9 0 495.74 546.57 69.60 o 2 9 0 113.73 168.00 56.88 o 3 9 0 14.64 -3.17 80.78 o 4 9 0 47.06 44.43 90.84 o -7 10 0 243.75 281.09 81.56 o -6 10 0 386.77 411.64 120.96 o -5 10 0 4.75 -70.06 89.65 o -4 10 0 111.00 262.41 108.63 o -3 10 0 195.07 152.88 94.38 o -2 10 0 433.49 497.81 116.29 o -1 10 0 878.12 763.52 127.85 o 0 10 0 28.17 -29.04 93.06 o 1 10 0 317.20 407.63 117.85 o 2 10 0 702.90 659.56 129.35 o -5 11 0 7.34 -35.57 105.87 o -4 11 0 12.41 -15.51 105.87 o -3 11 0 17.59 -22.52 108.51 o -2 11 0 47.27 167.55 118.51 o -1 11 0 0.91 55.21 111.62 o 0 11 0 40.99 -72.28 117.79 o 0 -11 1 12.50 28.86 106.89 o 1 -11 1 2.52 103.84 112.40 o 2 -11 1 6.47 29.64 114.14 o 3 -11 1 68.45 79.59 112.88 o 4 -11 1 8.51 13.23 105.93 o 5 -11 1 2.18 -55.57 106.11 o -3 -10 1 220.91 309.18 105.10 o -2 -10 1 219.52 79.76 97.25 o -1 -10 1 452.27 381.40 110.07 o 0 -10 1 1380.57 1445.95 133.66 o 1 -10 1 942.87 994.07 115.28 o 2 -10 1 1265.95 1276.54 128.15 o 3 -10 1 178.78 273.61 101.62 o 4 -10 1 1.83 106.17 94.86 o 5 -10 1 79.30 75.03 63.00 o 6 -10 1 38.63 101.62 67.13 o 7 -10 1 395.13 328.88 77.61 o -4 -9 1 134.29 23.47 86.89 o -3 -9 1 106.59 115.04 78.63 o -2 -9 1 433.08 515.11 68.60 o -1 -9 1 472.24 494.64 105.45 o 0 -9 1 67.95 -17.55 74.44 o 1 -9 1 9.47 -40.84 76.41 o 2 -9 1 16.29 31.92 80.18 o 3 -9 1 2.96 -28.38 73.30 o 4 -9 1 177.55 316.60 64.49 o 5 -9 1 13.97 -30.30 52.88 o 6 -9 1 9.77 -56.71 56.71 o 7 -9 1 102.72 158.27 63.48 o 8 -9 1 2.43 8.44 61.86 o -6 -8 1 678.82 846.75 147.13 o -5 -8 1 833.59 991.31 141.92 o -4 -8 1 143.61 182.64 88.21 o -3 -8 1 15.05 10.41 88.60 o -2 -8 1 899.62 822.72 54.89 o -1 -8 1 977.95 905.82 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