#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:46:20 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181288 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/66/2236646.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_2236646_Fobs loop_ _publ_author_name 'Benslimane, Meriem' 'Merazig, Hocine' 'Daran, Jean-Claude' 'Zeghouan, Ouahida' _publ_section_title ; Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate ; _journal_coeditor_code SU2504 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1321 _journal_page_last m1322 _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 68.354 _cell_angle_beta 75.273 _cell_angle_gamma 84.264 _cell_length_a 9.6741 _cell_length_b 12.6695 _cell_length_c 14.3601 _exptl_crystal_F_000 772.00 _reflns_d_resolution_high 0.7704 _cod_data_source_file su2504Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I10 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 278.08 _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 36026.32 28369.59 869.39 o 3 0 0 9681.36 9170.63 53.08 o 4 0 0 5695.09 5579.15 42.02 o 5 0 0 4994.53 4764.91 57.95 o 6 0 0 2739.39 2737.19 41.48 o 7 0 0 3259.81 3292.03 40.18 o 8 0 0 4.56 10.91 5.34 o 9 0 0 1799.93 1911.10 42.12 o 10 0 0 126.70 128.69 12.28 o 11 0 0 516.41 486.84 23.63 o 12 0 0 20.22 22.82 10.00 o -12 1 0 35.61 33.61 19.75 o -11 1 0 210.84 189.20 21.61 o -10 1 0 128.05 118.55 14.21 o -9 1 0 2038.79 1970.72 35.19 o -8 1 0 666.10 630.71 18.69 o -7 1 0 825.13 849.64 20.14 o -6 1 0 4263.82 4326.87 56.32 o 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