#------------------------------------------------------------------------------ #$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $ #$Revision: 717 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221448.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_2221448_Fobs loop_ _publ_author_name 'Tong, Hung-Chun' 'Hung, Yu-Chen' 'Wang, Po-Yo' 'Lin, Chia-Her' 'Lo, Yih-Hsing' _publ_section_title ; (Benzonitrile-\kN)chlorido[hydridotris(pyrazol-1-yl-\kN^2^)borato](triphenylphosphine-\kP)ruthenium(II) ethanol solvate ; _journal_coeditor_code NC2139 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m438 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.438 _cell_angle_beta 88.726 _cell_angle_gamma 88.920 _cell_length_a 8.0008 _cell_length_b 11.0195 _cell_length_c 19.4246 _exptl_crystal_F_000 780.00 _reflns_d_resolution_high 0.8400 _[local]_cod_data_source_file nc2139Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a9273_0m in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 199.03 _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 3501.19 3619.02 49.77 o 2 0 0 7566.12 7667.65 157.16 o 3 0 0 13.62 -10.58 30.40 o 4 0 0 4772.64 5117.44 123.77 o 5 0 0 3.05 -25.32 44.31 o 6 0 0 288.69 323.58 97.29 o 7 0 0 787.54 865.69 96.19 o 8 0 0 495.22 554.50 88.73 o 9 0 0 85.58 176.45 78.48 o -9 1 0 1818.03 2030.86 182.56 o -8 1 0 1337.54 1271.44 112.64 o -7 1 0 131.81 89.55 71.39 o -6 1 0 907.99 904.30 92.74 o -5 1 0 496.88 475.53 59.78 o -4 1 0 24.27 36.10 32.15 o -3 1 0 1220.18 1371.26 49.66 o -2 1 0 30.45 7.57 29.45 o -1 1 0 657.40 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