#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:20:14 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181005 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/85/2208504.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_2208504_Fobs loop_ _publ_author_name 'Jess, Inke' 'N\"ather, Christian' _publ_section_title ; Tetra-\m~2~-cyano-\k^8^C:N-\m~2~-2,6-dimethylpyrazine-\k^2^N:N'-hexakis(2,6-dimethylpyrazine-\kN)octa-\m~2~-thiocyanato-\k^16^N:S-decacopper(I,II) ; _journal_coeditor_code BT2007 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m721 _journal_page_last m723 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 97.837 _cell_angle_beta 109.463 _cell_angle_gamma 92.057 _cell_length_a 10.2406 _cell_length_b 13.2211 _cell_length_c 14.7809 _exptl_crystal_F_000 980.00 _reflns_d_resolution_high 0.8401 _cod_data_source_file bt2007Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Cu12(SCN)8(CN)4(2,5-dimethylpyrazin)7 bei 220 K in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 215.64 _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 2350.08 2796.24 461.97 o 3 0 0 15186.96 17142.00 537.78 o 4 0 0 26384.63 27414.98 457.43 o 5 0 0 3189.41 3386.15 299.44 o 6 0 0 2977.86 3114.22 276.34 o 7 0 0 45.91 250.60 245.46 o 8 0 0 793.68 1009.30 289.04 o 9 0 0 1178.57 1153.50 264.75 o 10 0 0 1297.01 976.22 242.30 o 11 0 0 34.22 162.70 277.72 o -10 1 0 830.98 817.50 245.06 o -9 1 0 1880.13 1850.54 269.98 o -8 1 0 8.44 -295.95 295.95 o -7 1 0 545.48 513.49 252.07 o -6 1 0 2054.84 1854.20 274.78 o -5 1 0 8404.13 8902.26 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