#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/00/2220060.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_2220060_Fobs loop_ _publ_author_name 'Li, Shun-Li' 'Tan, Ke' _publ_section_title ; A new \b-octamolybdate(VI) salt based on 1,4-bis(2-methyl-1H-imidazol-1-yl)butane ; _journal_coeditor_code BG2208 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1487 _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 60.777 _cell_angle_beta 68.155 _cell_angle_gamma 70.400 _cell_length_a 10.5680 _cell_length_b 11.4890 _cell_length_c 11.5600 _exptl_crystal_F_000 784.00 _reflns_d_resolution_high 0.7501 _[local]_cod_data_source_file bg2208Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mm in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 290.88 _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 27090.39 26505.56 293.81 o 2 0 0 2304.43 2350.26 54.56 o 3 0 0 9618.15 9281.83 190.81 o 4 0 0 5184.85 5019.08 105.70 o 5 0 0 791.72 811.90 25.71 o 6 0 0 938.66 922.41 29.63 o 7 0 0 207.41 242.16 25.60 o 8 0 0 60.76 47.69 16.78 o 9 0 0 8.09 15.37 18.27 o 10 0 0 444.65 458.06 65.27 o 11 0 0 557.05 543.28 74.68 o 12 0 0 51.55 16.82 28.25 o -11 1 0 0.14 15.85 29.70 o -10 1 0 1349.25 1342.40 99.31 o -9 1 0 1506.63 1505.76 97.05 o -8 1 0 60.45 68.64 27.12 o -7 1 0 353.54 330.35 45.15 o -6 1 0 20764.75 20088.92 224.52 o -5 1 0 11781.44 11769.58 233.18 o -4 1 0 6396.21 6564.93 94.49 o -3 1 0 304.43 316.69 69.13 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