#------------------------------------------------------------------------------ #$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $ #$Revision: 66590 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/47/2234742.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_2234742_Fobs loop_ _publ_author_name 'S\"anger, Inge' 'Lerner, Hans-Wolfram' 'Sinke, Tanja' 'Bolte, Michael' _publ_section_title ; Iodido(tri-tert-butylphosphane-\kP)gold(I) ; _journal_coeditor_code NG5264 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m708 _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 85.325 _cell_angle_beta 72.840 _cell_angle_gamma 80.411 _cell_length_a 7.8198 _cell_length_b 8.9417 _cell_length_c 12.3507 _exptl_crystal_F_000 492.00 _reflns_d_resolution_high 0.7654 _[local]_cod_data_source_file ng5264Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' wa1410 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 224.93 _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 1286.52 1269.73 54.46 o 3 0 0 4146.94 4325.00 159.42 o 4 0 0 16434.95 16558.73 571.42 o 5 0 0 19919.81 20548.97 852.29 o 6 0 0 2824.21 3061.19 91.16 o 7 0 0 3.38 37.55 11.46 o 8 0 0 1141.72 1176.93 122.55 o 9 0 0 1697.98 1657.09 219.29 o -9 1 0 2399.46 2449.90 439.53 o -8 1 0 2297.33 2297.22 413.56 o -7 1 0 823.12 877.76 39.13 o -6 1 0 20.53 37.33 11.71 o -5 1 0 8592.56 9054.60 279.67 o -4 1 0 25420.31 24972.39 1043.85 o -3 1 0 13952.66 14132.82 348.08 o -2 1 0 3891.85 4388.49 100.49 o -1 1 0 159.31 159.22 19.51 o 2 1 0 22922.88 21657.40 777.00 o 3 1 0 304.42 298.45 12.55 o 4 1 0 4629.96 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