#------------------------------------------------------------------------------ #$Date: 2013-02-22 12:27:16 +0200 (Fri, 22 Feb 2013) $ #$Revision: 74188 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/61/2236160.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_2236160_Fobs loop_ _publ_author_name 'Erdem, Sultan S.' 'Fronczek, Frank R.' 'Watkins, Steven F.' _publ_section_title ; Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2H-pyrrol-2-ylidene-\kN)methyl]-1H-pyrrolato-\kN]copper(II) ; _journal_coeditor_code CV5335 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1335 _journal_page_last m1336 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 92.807 _cell_angle_beta 105.420 _cell_angle_gamma 91.980 _cell_length_a 7.9740 _cell_length_b 12.0900 _cell_length_c 13.9410 _exptl_crystal_F_000 550.00 _reflns_d_resolution_high 0.7099 _[local]_cod_data_source_file cv5335Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' erdsfw (C15 H19 N2)2 Cu in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 215.45 _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 6854.71 7200.51 354.03 o 2 0 0 41.22 29.60 5.58 o 3 0 0 91.54 49.75 4.37 o 4 0 0 16.19 12.27 1.76 o 5 0 0 1396.42 1549.83 59.11 o 6 0 0 269.87 248.13 19.31 o 7 0 0 375.94 293.18 28.77 o 8 0 0 168.86 141.31 18.35 o 9 0 0 24.68 41.25 25.03 o 10 0 0 159.20 131.98 30.54 o -10 1 0 14.97 44.04 41.03 o -9 1 0 47.21 28.48 24.29 o -8 1 0 264.95 306.31 31.27 o -7 1 0 1065.09 1055.26 77.44 o -6 1 0 504.94 508.66 28.81 o -5 1 0 1381.87 1321.88 24.35 o -4 1 0 296.70 221.40 10.13 o -3 1 0 9030.93 9624.71 191.36 o -2 1 0 22880.25 23711.66 430.14 o -1 1 0 85.89 124.06 10.28 o 1 1 0 6119.17 6519.73 180.74 o 2 1 0 92.02 131.66 4.26 o 3 1 0 695.86 675.51 15.88 o 4 1 0 524.46 618.77 21.58 o 5 1 0 801.96 691.04 44.92 o 6 1 0 454.84 481.16 24.76 o 7 1 0 832.50 835.71 75.16 o 8 1 0 218.71 258.09 30.46 o 9 1 0 99.79 102.57 18.11 o 10 1 0 92.79 88.90 29.14 o 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