#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/91/2219187.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_2219187_Fobs loop_ _publ_author_name 'Abbasi, Alireza' 'Sheikhshoaie, Iran' 'Saghaei, Abbas' 'Monadi, Niaz' _publ_section_title ; {2,2'-[(2,2-Dimethylpropane-1,3-diyl)bis(nitrilomethylidyne)]diphenolato}dioxidomolybdenum(VI) ; _journal_coeditor_code WM2183 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1036 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.679 _cell_angle_beta 108.194 _cell_angle_gamma 101.122 _cell_length_a 9.3875 _cell_length_b 9.5597 _cell_length_c 11.0422 _exptl_crystal_F_000 444.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file wm2183Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' data-6' _shelx_refln_list_code 4 _shelx_F_calc_maximum 157.73 _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 0 446.17 444.13 5.45 o 2 0 0 682.92 687.71 8.79 o 3 0 0 97.04 120.45 2.75 o 4 0 0 3817.84 3719.14 43.26 o 5 0 0 94.60 88.28 3.96 o 6 0 0 3419.00 3511.54 56.79 o 7 0 0 223.02 208.58 11.87 o 8 0 0 515.58 487.91 18.47 o 9 0 0 583.44 556.59 21.20 o 10 0 0 759.80 743.78 38.37 o -10 1 0 208.80 221.02 14.96 o -9 1 0 61.76 81.84 10.05 o -8 1 0 92.61 114.93 10.38 o -7 1 0 2974.42 3054.90 39.81 o -6 1 0 421.12 435.32 12.71 o -5 1 0 751.53 704.66 12.60 o -4 1 0 289.02 396.45 8.10 o -3 1 0 117.84 171.18 4.76 o -2 1 0 11972.02 11507.93 123.09 o -1 1 0 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