#------------------------------------------------------------------------------ #$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $ #$Revision: 88054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/88/2018886.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_2018886_Fobs loop_ _publ_author_name 'Zhang, Yue-Feng' 'Ma, Jian-Ping' 'Liu, Qi-Kui' 'Dong, Yu-Bin' _publ_section_title ; Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and ZnX~2~ (X = Cl, Br and I) ; _journal_coeditor_code BG3155 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 367 _journal_page_last 371 _journal_volume 69 _journal_year 2013 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 104.804 _cell_angle_gamma 90.000 _cell_length_a 12.9253 _cell_length_b 10.1753 _cell_length_c 17.3342 _exptl_crystal_F_000 1032.00 _reflns_d_resolution_high 0.8377 _[local]_cod_data_source_file bg3155Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 121127fm in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 308.73 _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+1/2, -z+1/2' '-x, -y, -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 1438.47 1392.70 87.37 o 4 0 0 8135.71 8427.48 176.98 o 6 0 0 5246.23 4716.06 335.52 o 8 0 0 1988.30 2195.92 291.43 o 10 0 0 1813.24 1638.87 298.95 o 12 0 0 468.52 182.81 212.92 o 14 0 0 643.24 772.66 313.47 o 1 1 0 29433.76 30546.70 405.97 o 2 1 0 13071.32 14159.12 160.06 o 3 1 0 233.43 136.58 45.40 o 4 1 0 1352.70 1416.62 65.73 o 5 1 0 9482.74 9349.37 153.68 o 6 1 0 363.74 365.54 41.42 o 7 1 0 135.39 130.03 36.09 o 8 1 0 54.30 3.85 100.39 o 9 1 0 3857.08 3889.11 286.48 o 10 1 0 12.47 16.36 122.24 o 11 1 0 149.12 109.57 138.14 o 12 1 0 242.00 321.16 147.27 o 13 1 0 30.65 98.72 142.61 o 14 1 0 9.05 -24.21 162.95 o 0 2 0 23171.72 23337.49 355.76 o 1 2 0 6910.40 6559.37 124.63 o 2 2 0 20930.20 21117.91 320.76 o 3 2 0 30934.16 32079.86 313.23 o 4 2 0 18944.82 19049.77 248.32 o 5 2 0 325.18 321.11 45.66 o 6 2 0 2432.96 2539.76 95.55 o 7 2 0 18.47 57.95 35.45 o 8 2 0 824.33 677.67 82.33 o 9 2 0 321.09 355.38 98.95 o 10 2 0 1649.47 1407.80 192.22 o 11 2 0 317.08 291.86 106.27 o 12 2 0 173.77 86.75 94.59 o 13 2 0 95.89 76.46 119.93 o 14 2 0 341.22 336.42 235.24 o 1 3 0 1752.71 1624.85 86.24 o 2 3 0 10944.48 10965.91 197.86 o 3 3 0 2682.00 2598.28 106.39 o 4 3 0 2453.16 2649.43 114.09 o 5 3 0 5943.40 5639.29 161.91 o 6 3 0 597.24 627.62 64.20 o 7 3 0 1.82 48.31 43.13 o 8 3 0 532.01 517.12 83.15 o 9 3 0 1044.70 1049.66 134.98 o 10 3 0 70.61 45.04 87.73 o 11 3 0 7.42 24.30 83.34 o 12 3 0 117.54 111.69 150.55 o 13 3 0 127.91 76.91 94.00 o 14 3 0 43.35 130.91 126.77 o 0 4 0 113.26 54.84 139.80 o 1 4 0 2243.70 2250.21 109.42 o 2 4 0 3657.52 3660.41 135.39 o 3 4 0 3425.21 3288.87 131.06 o 4 4 0 1988.40 2076.31 113.96 o 5 4 0 2602.05 2646.23 129.12 o 6 4 0 115.98 95.34 56.41 o 7 4 0 875.85 959.58 85.67 o 8 4 0 38.27 24.81 58.22 o 9 4 0 92.89 90.99 78.79 o 10 4 0 1144.90 1067.48 185.83 o 11 4 0 355.16 463.07 198.14 o 12 4 0 0.60 -41.29 105.19 o 13 4 0 102.62 131.38 124.73 o 14 4 0 308.84 473.19 180.74 o 1 5 0 31.65 58.06 67.79 o 2 5 0 737.24 642.20 77.13 o 3 5 0 322.96 342.57 64.08 o 4 5 0 3.81 62.31 54.22 o 5 5 0 252.83 331.42 71.36 o 6 5 0 660.63 688.54 92.55 o 7 5 0 1378.04 1354.68 115.14 o 8 5 0 2308.21 2225.96 153.16 o 9 5 0 197.56 213.82 112.09 o 10 5 0 266.91 362.12 128.48 o 11 5 0 70.72 -20.03 98.23 o 12 5 0 18.70 129.18 115.19 o 13 5 0 159.44 287.55 143.48 o 0 6 0 843.87 888.80 266.69 o 1 6 0 2813.12 2791.76 187.69 o 2 6 0 1416.86 1411.98 112.04 o 3 6 0 568.21 568.48 82.50 o 4 6 0 458.79 439.17 84.32 o 5 6 0 10.84 28.24 53.87 o 6 6 0 9.71 68.98 65.01 o 7 6 0 888.29 944.58 142.19 o 8 6 0 34.12 42.55 76.85 o 9 6 0 253.43 262.24 104.75 o 10 6 0 7.20 98.58 102.43 o 11 6 0 85.20 49.10 104.14 o 12 6 0 58.72 68.80 115.38 o 1 7 0 28.46 -174.13 147.15 o 2 7 0 1376.55 1357.98 166.52 o 3 7 0 25.50 117.61 89.87 o 4 7 0 625.77 619.44 136.21 o 5 7 0 360.61 277.13 78.37 o 6 7 0 43.22 90.03 102.32 o 7 7 0 24.17 -23.32 87.90 o 8 7 0 32.54 -3.32 74.17 o 9 7 0 17.84 -35.27 80.63 o 10 7 0 650.62 695.36 165.34 o 11 7 0 13.69 26.59 106.00 o 12 7 0 3.19 0.15 112.10 o 0 8 0 128.66 83.34 291.43 o 1 8 0 1390.36 1247.48 245.38 o 2 8 0 289.43 533.52 227.57 o 3 8 0 481.37 611.65 141.75 o 4 8 0 21.86 -19.85 102.31 o 5 8 0 141.39 109.47 109.33 o 6 8 0 380.22 374.73 133.91 o 7 8 0 276.71 490.75 202.71 o 8 8 0 81.43 13.65 171.25 o 9 8 0 1.48 86.83 109.56 o 10 8 0 26.58 118.07 113.45 o 11 8 0 7.01 43.95 139.53 o 1 9 0 294.60 353.70 198.66 o 2 9 0 558.44 804.12 232.27 o 3 9 0 1.63 64.57 108.86 o 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