#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:23:45 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180859 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/90/2019018.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_2019018_Fobs loop_ _publ_author_name 'Levason, William' 'Pugh, David' 'Reid, Gillian' _publ_section_title ; Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride--tribenzylphosphane (1/1) ; _journal_coeditor_code YF3030 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 560 _journal_page_last 564 _journal_volume 69 _journal_year 2013 _space_group_IT_number 146 _symmetry_space_group_name_Hall 'R 3' _symmetry_space_group_name_H-M 'R 3 :H' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 13.9410 _cell_length_b 13.9410 _cell_length_c 15.6928 _exptl_crystal_F_000 1080.00 _reflns_d_resolution_high 0.7718 _cod_data_source_file yf3030IIsup3.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2012dcp051 in R3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 244.39 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 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 1 -20 463.89 579.08 151.59 o -3 2 -20 182.44 354.68 122.66 o 0 2 -20 252.28 409.73 117.99 o -2 3 -20 245.96 412.54 106.64 o 0 1 -19 241.88 106.33 27.11 o -2 2 -19 37.83 15.39 36.65 o 1 2 -19 259.20 94.82 30.12 o -4 3 -19 14.12 12.16 19.57 o -1 3 -19 114.79 157.21 42.33 o 2 3 -19 160.86 236.69 81.47 o -6 4 -19 418.02 242.08 97.35 o -3 4 -19 812.18 356.25 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