#------------------------------------------------------------------------------ #$Date: 2010-11-03 10:57:48 +0200 (Wed, 03 Nov 2010) $ #$Revision: 1704 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2227071.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_2227071_Fobs loop_ _publ_author_name 'Wen, Qing-Song' 'Zhou, Cheng-Lin' 'Qin, Da-Bin' _publ_section_title ; Diacetonitrile(3-{2-[8-(2-bromoethoxy)-9,10-dioxoanthracen-1-yloxy]ethyl}-1-(2-pyridylmethyl)imidazolium)silver(I) bis(hexafluoridophosphate) ; _journal_coeditor_code SI2276 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1030 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.034 _cell_angle_beta 88.278 _cell_angle_gamma 74.805 _cell_length_a 7.9607 _cell_length_b 12.8258 _cell_length_c 18.1987 _exptl_crystal_F_000 1004.00 _reflns_d_resolution_high 0.8403 _[local]_cod_data_source_file si2276Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' m091216i in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 323.61 _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 0 211.48 136.46 8.22 o 2 0 0 2707.31 3038.00 93.82 o 3 0 0 1199.15 1085.41 32.01 o 4 0 0 465.10 378.84 30.47 o 5 0 0 12482.66 14645.87 420.08 o 6 0 0 3022.33 2985.95 146.20 o 7 0 0 586.37 531.51 65.36 o 8 0 0 2230.39 2084.02 150.81 o 9 0 0 87.35 71.75 39.65 o -8 1 0 2.03 12.69 20.38 o -7 1 0 363.18 273.67 63.30 o -6 1 0 3187.18 3206.67 132.06 o -5 1 0 5324.38 4950.45 151.41 o -4 1 0 52.74 43.38 14.61 o -3 1 0 2713.61 3145.56 54.24 o -2 1 0 4881.87 5242.21 83.05 o -1 1 0 703.11 544.61 23.08 o 0 1 0 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