#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2205156.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_2205156_Fobs loop_ _publ_author_name 'Ramdani, Abdelkrim' 'El Kodadi, Mohamed' 'Fouad, Malek' 'Eddike, Driss' 'Tillard, Monique' 'Belin, Claude' _publ_section_title ; A redetermination of [N,N-bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl-\kN^2^)-2-hydroxyethylamine-\kN](3,5-dimethyl-1H-pyrazole-\kN^2^)nitratocopper(II) nitrate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m346 _journal_page_last m348 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.400 _cell_angle_beta 75.910 _cell_angle_gamma 85.680 _cell_length_a 8.3510 _cell_length_b 11.2200 _cell_length_c 13.5660 _exptl_crystal_F_000 586.00 _reflns_d_resolution_high 0.7948 _[local]_cod_data_source_file su6154Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' nitrate' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.96 _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 0 176.98 217.89 13.70 o 3 0 0 377.41 390.16 45.96 o 4 0 0 0.75 3.18 2.36 o 5 0 0 316.51 289.39 10.73 o 6 0 0 46.48 45.40 7.80 o 7 0 0 16.39 63.65 33.84 o 8 0 0 445.67 496.44 23.60 o 9 0 0 230.11 177.85 28.57 o 10 0 0 7.14 11.86 10.84 o -10 1 0 28.45 18.77 10.79 o -9 1 0 35.84 25.30 11.96 o -8 1 0 59.19 87.38 12.50 o -7 1 0 416.10 496.66 23.42 o -6 1 0 43.47 49.00 10.35 o -5 1 0 693.27 861.57 66.79 o -4 1 0 345.81 341.31 14.88 o -3 1 0 223.59 207.52 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