#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/77/2217768.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_2217768_Fobs loop_ _publ_author_name 'Bruhn, Clemens' 'K\"uger, Thomas' 'Steinborn, Dirk' _publ_section_title ; Dichlorido(9-methyladenine-\kN^7^)(\h^5^-pentamethylcyclopentadienyl)iridium(III) dichloromethane solvate ; _journal_coeditor_code FJ2096 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m455 _journal_page_last m456 _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 71.338 _cell_angle_beta 83.830 _cell_angle_gamma 78.003 _cell_length_a 7.2938 _cell_length_b 11.8698 _cell_length_c 13.6490 _exptl_crystal_F_000 612.00 _reflns_d_resolution_high 0.8417 _[local]_cod_data_source_file fj2096Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' UNKNOWN' _shelx_refln_list_code 4 _shelx_F_calc_maximum 207.66 _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 28107.72 29479.32 262.41 o 2 0 0 2395.34 2408.82 126.13 o 3 0 0 9950.23 9827.27 261.08 o 4 0 0 15080.60 13965.24 357.71 o 5 0 0 6567.14 6474.15 288.24 o 6 0 0 3156.28 2928.81 232.46 o 7 0 0 437.22 166.02 130.04 o 8 0 0 16.87 -365.24 121.75 o -8 1 0 1000.25 1111.59 151.83 o -7 1 0 2062.38 2038.20 238.66 o -6 1 0 3115.10 3896.61 265.67 o -5 1 0 8889.97 10147.67 378.96 o -3 1 0 12070.76 12915.78 328.01 o -2 1 0 17085.90 18887.61 336.18 o -1 1 0 27781.63 30262.96 300.32 o 0 1 0 11830.27 13278.84 137.16 o 1 1 0 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