#------------------------------------------------------------------------------ #$Date: 2010-10-08 09:13:40 +0300 (Fri, 08 Oct 2010) $ #$Revision: 1452 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2226290.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_2226290_Fobs loop_ _publ_author_name 'Assey, Gervas' 'Gultneh, Yilma' 'Butcher, Ray J.' _publ_section_title ; Ethylenediammonium tetrakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) bis(perchlorate) dimethylformamide monosolvate ; _journal_coeditor_code SJ2787 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m654 _journal_page_last m655 _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 85.990 _cell_angle_beta 86.506 _cell_angle_gamma 62.963 _cell_length_a 15.02090 _cell_length_b 15.0492 _cell_length_c 18.2709 _exptl_crystal_F_000 1692.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file sj2787Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ga08-6 in P-1 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 524.68 _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 3 0 0 1131.08 799.15 12.24 o 0.11217 4 0 0 125.00 147.69 12.44 o 0.14957 5 0 0 1234.78 1450.05 20.82 o 0.18696 6 0 0 7045.84 7328.35 37.27 o 0.22435 7 0 0 54.74 68.75 13.07 o 0.26174 8 0 0 6459.69 6238.79 50.19 o 0.29913 9 0 0 5.23 4.60 18.21 o 0.33652 10 0 0 211.63 191.10 19.39 o 0.37391 11 0 0 100.42 87.94 20.80 o 0.41130 12 0 0 1798.54 1758.13 35.14 o 0.44870 -13 0 0 504.37 493.68 35.03 o 0.48609 -14 0 0 53.65 51.77 50.51 o 0.52348 -15 0 0 1283.74 1144.93 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