#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:22:08 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181032 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/12/2211225.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_2211225_Fobs loop_ _publ_author_name 'Peay, Miya' 'Updegraff III, James' 'Gray, Thomas G.' _publ_section_title ; Bis(tetraphenylphosphonium) octa-\m~3~-chloro-hexakis(trifluoromethanesulfonato)-octahedro-hexamolybdate dichloromethane/diethyl ether solvate ; _journal_coeditor_code WM2040 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2895 _journal_page_last m2897 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 74.640 _cell_angle_beta 75.367 _cell_angle_gamma 74.263 _cell_length_a 11.87100 _cell_length_b 13.8264 _cell_length_c 14.0267 _exptl_crystal_F_000 1208.00 _reflns_d_resolution_high 0.7709 _cod_data_source_file wm2040Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' JP053006 in P-1 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 318.80 _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 _refln_sint/lambda 1 0 0 35251.53 35727.09 1134.51 o 0.04461 2 0 0 27170.26 29443.44 935.34 o 0.08923 3 0 0 308.26 230.09 23.53 o 0.13384 4 0 0 820.55 1060.06 32.00 o 0.17846 5 0 0 489.66 428.13 22.17 o 0.22307 6 0 0 1821.08 1768.59 50.88 o 0.26769 7 0 0 33.14 70.01 10.91 o 0.31230 8 0 0 457.25 612.71 21.43 o 0.35691 9 0 0 6242.41 6836.70 129.49 o 0.40153 10 0 0 3363.04 3678.91 83.13 o 0.44614 11 0 0 187.11 184.33 20.61 o 0.49076 12 0 0 33.53 87.75 20.61 o 0.53537 13 0 0 340.56 326.02 34.02 o 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