#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/02/2200278.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_2200278_Fobs loop_ _publ_author_name 'Fl\"orke, Ulrich' 'Petters, Dina' _publ_section_title ; Bis(\m-diphenylphosphido)bis{trans-tricarbonylbis[1-(4-ethoxybutoxy)pentylidene]rhenium} ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m237 _journal_page_last m238 _journal_volume 57 _journal_year 2001 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 69.860 _cell_angle_beta 86.580 _cell_angle_gamma 66.390 _cell_length_a 10.2940 _cell_length_b 12.1020 _cell_length_c 12.2300 _exptl_crystal_F_000 636.00 _reflns_d_resolution_high 0.7681 _[local]_cod_data_source_file bt6046Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C52 H64 O10 P2 Re2 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 197.55 _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 2 0 0 48.62 63.35 3.72 o 3 0 0 1795.56 1890.60 52.22 o 4 0 0 8376.52 8458.36 192.24 o 5 0 0 2358.56 2503.17 113.29 o 6 0 0 18.07 38.74 8.36 o 7 0 0 3314.84 3120.59 135.32 o 8 0 0 2775.63 2792.87 86.48 o 9 0 0 971.49 1026.73 23.75 o 10 0 0 43.61 36.69 16.33 o 11 0 0 249.43 225.92 21.80 o 12 0 0 299.26 358.18 25.66 o -11 1 0 59.78 68.09 20.02 o -10 1 0 211.26 259.33 20.92 o -9 1 0 1908.29 1952.31 52.78 o -8 1 0 2347.72 2371.57 40.43 o -7 1 0 792.55 738.60 36.21 o -6 1 0 605.03 595.75 21.68 o -5 1 0 3756.57 3703.61 114.36 o -4 1 0 9152.93 8951.69 346.35 o -3 1 0 4387.93 4559.16 156.60 o 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