#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/29/2212968.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_2212968_Fobs loop_ _publ_author_name 'Bakowicz, Julia' 'Kropid\/lowska, Anna' 'Turowska-Tyrk, Ilona' 'Becker, Barbara' _publ_section_title ; \m-trans-1,2-Di-4-pyridylethene-\k^2^N:N'-bis[(dimethylformamide-\kO)bis(tri-tert-butoxysilanethiolato-\kS)cadmium(II)] ; _journal_coeditor_code NG2221 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m973 _journal_page_last m975 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 100.539 _cell_angle_beta 94.205 _cell_angle_gamma 96.145 _cell_length_a 9.5922 _cell_length_b 15.3340 _cell_length_c 15.7451 _exptl_crystal_F_000 884.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file ng2221Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' NG2221' _shelx_refln_list_code 4 _shelx_f_calc_maximum 235.82 _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 27593.00 23548.79 53.09 o 3 0 0 5958.32 5346.25 80.66 o 4 0 0 108.68 62.81 5.25 o 5 0 0 13.17 7.12 3.09 o 6 0 0 968.56 847.47 35.17 o 7 0 0 39.88 46.43 8.85 o 8 0 0 230.03 206.31 14.82 o 9 0 0 574.66 577.24 29.22 o 10 0 0 212.25 243.38 23.13 o -10 1 0 342.03 388.65 26.07 o -9 1 0 11.21 3.48 5.22 o -8 1 0 492.48 499.46 18.54 o -7 1 0 1092.31 1055.44 21.72 o -6 1 0 0.25 2.28 3.81 o -5 1 0 2976.19 2784.00 99.83 o -4 1 0 610.04 504.60 43.88 o -3 1 0 1598.76 1804.75 81.21 o -2 1 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