#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:58:55 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180935 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/15/2201549.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_2201549_Fobs loop_ _publ_author_name 'Deschamps, Jeffrey R.' 'Hartshorn, Christopher M.' 'Singh, Alok' 'Chang, Eddie L.' _publ_section_title ; Chloro(nitrato)[1,4,7-tris(4-vinyl)benzyl-1,4,7-triazacyclononane]copper(II) ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m396 _journal_page_last m398 _journal_volume 58 _journal_year 2002 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 102.437 _cell_angle_gamma 90.000 _cell_length_a 9.7764 _cell_length_b 28.4914 _cell_length_c 11.2790 _exptl_crystal_F_000 1340.00 _reflns_d_resolution_high 0.7499 _cod_data_source_file ob6143Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' chang05a in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 287.43 _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' loop_ _refln_index_h 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74.62 84.35 48.25 o -1 3 -13 1234.48 1236.66 30.72 o 1 3 -13 411.64 386.12 22.73 o -2 4 -13 23.72 -0.51 18.75 o 0 4 -13 489.71 480.83 24.03 o 2 4 -13 1687.84 1614.19 32.75 o -3 5 -13 393.68 365.56 54.41 o -1 5 -13 167.70 172.04 21.00 o 1 5 -13 1170.32 1231.44 30.32 o -2 6 -13 1697.46 1736.34 35.27 o 0 6 -13 1185.01 1181.41 50.59 o 2 6 -13 2832.86 2839.77 58.54 o -1 7 -13 212.94 214.98 42.77 o 1 7 -13 203.46 205.00 40.49 o -2 8 -13 341.37 352.83 24.93 o 0 8 -13 149.24 155.42 21.39 o 2 8 -13 1251.79 1251.96 43.51 o -1 9 -13 2075.83 2135.25 38.08 o 1 9 -13 2038.24 2050.28 36.51 o -2 10 -13 427.83 495.75 26.79 o 0 10 -13 264.98 278.06 22.68 o 2 10 -13 2269.44 2204.54 55.83 o -1 11 -13 44.00 29.72 20.83 o 1 11 -13 114.19 125.28 22.19 o -2 12 -13 432.87 544.14 38.95 o 0 12 -13 1099.60 1122.74 32.11 o 2 12 -13 1515.30 1540.85 50.90 o -1 13 -13 553.81 560.01 27.32 o 1 13 -13 1284.90 1360.66 49.30 o 0 14 -13 459.40 541.02 27.79 o 2 14 -13 441.78 548.46 38.82 o -1 15 -13 1012.15 1056.36 46.09 o 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