#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220061.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_2220061_Fobs loop_ _publ_author_name 'An, Yan' 'Li, Xiao-Feng' 'Dong, Li-Hua' 'Yin, Yan-Sheng' _publ_section_title ; catena-Poly[[bis(\m-3-carboxybenzoato)bis(1,10-phenanthroline)tricopper(II)]-di-\m~3~-isophthalato] ; _journal_coeditor_code BG2210 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1574 _journal_page_last m1575 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.147 _cell_angle_beta 86.191 _cell_angle_gamma 71.134 _cell_length_a 10.3829 _cell_length_b 10.6586 _cell_length_c 11.7535 _exptl_crystal_F_000 613.00 _reflns_d_resolution_high 0.8107 _[local]_cod_data_source_file bg2210Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cu1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 187.38 _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 0 363.55 371.77 10.96 o 2 0 0 2033.10 2040.80 65.94 o 3 0 0 254.57 208.28 5.99 o 4 0 0 6111.48 5781.95 174.96 o 5 0 0 17.79 20.53 1.59 o 6 0 0 378.85 399.23 10.44 o 7 0 0 183.65 170.75 4.62 o 8 0 0 1160.17 1146.52 14.46 o 9 0 0 762.79 773.09 14.22 o 10 0 0 527.63 516.38 12.45 o 11 0 0 559.47 587.56 20.54 o 12 0 0 52.85 64.67 8.33 o -11 1 0 120.61 114.63 9.99 o -10 1 0 255.74 284.76 14.15 o -9 1 0 21.29 22.65 3.23 o -8 1 0 2726.83 2703.91 65.36 o -7 1 0 909.04 913.55 10.46 o -6 1 0 1062.88 1041.78 10.30 o 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o 2 9 0 41.59 47.35 4.11 o 3 9 0 151.89 139.21 9.20 o 4 9 0 1101.06 1162.38 72.42 o 5 9 0 49.62 43.50 3.18 o 6 9 0 2.12 5.02 1.84 o 7 9 0 605.03 642.25 31.80 o 8 9 0 464.83 513.44 42.46 o 9 9 0 291.07 293.63 22.76 o 10 9 0 119.66 106.35 8.47 o 11 9 0 108.18 101.71 7.15 o -4 10 0 53.39 51.62 7.77 o -3 10 0 532.42 501.52 20.26 o -2 10 0 200.28 177.63 11.93 o -1 10 0 70.58 67.50 5.18 o 0 10 0 7.24 6.76 2.64 o 1 10 0 1727.25 1635.29 30.53 o 2 10 0 9.04 10.21 2.84 o 3 10 0 1.09 1.51 2.05 o 4 10 0 67.58 67.27 7.63 o 5 10 0 166.45 160.30 6.32 o 6 10 0 1.90 0.50 1.75 o 7 10 0 1.64 1.41 1.82 o 8 10 0 322.25 346.74 19.25 o 9 10 0 5.74 5.38 2.27 o 10 10 0 17.59 17.20 3.79 o -3 11 0 46.30 38.30 7.22 o -2 11 0 331.18 321.40 16.93 o -1 11 0 10.61 10.27 4.72 o 0 11 0 102.33 94.93 6.27 o 1 11 0 140.94 140.51 12.49 o 2 11 0 303.61 317.57 11.10 o 3 11 0 69.60 71.13 6.38 o 4 11 0 4.62 5.00 2.75 o 5 11 0 165.44 183.87 16.51 o 6 11 0 183.50 193.55 12.35 o 7 11 0 1.08 0.18 1.81 o 8 11 0 11.09 13.03 2.94 o 9 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