#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2014456.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_2014456_Fobs loop_ _publ_author_name 'Moreno, Yanko' 'Vega, Andr\'es' 'Spodine, Evgenia' 'Ushak, Esvetlana' 'Baggio, Ricardo' _publ_section_title ; Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine) ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m484 _journal_page_last m488 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 72.070 _cell_angle_beta 89.900 _cell_angle_gamma 80.651 _cell_length_a 9.8343 _cell_length_b 10.4632 _cell_length_c 14.3210 _exptl_crystal_F_000 876.00 _reflns_d_resolution_high 0.8408 _[local]_cod_data_source_file fa1078IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' AIYMCuam in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 382.08 _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 1 0 0 13974.44 5.11 12.97 o 2 0 0 9246.46 10663.15 156.59 o 3 0 0 419.85 490.81 55.58 o 4 0 0 501.78 385.30 65.24 o 5 0 0 68.46 16.80 48.03 o 6 0 0 3251.48 3306.57 163.82 o 7 0 0 3075.76 3196.41 270.68 o 8 0 0 368.02 332.80 146.67 o 9 0 0 2439.41 2280.55 613.25 o 10 0 0 607.54 655.53 211.87 o 11 0 0 1697.16 1744.23 312.90 o -11 1 0 2651.86 2671.81 391.61 o -10 1 0 1626.28 1473.11 300.70 o -9 1 0 1422.27 1223.09 241.65 o -8 1 0 173.08 128.65 119.21 o -7 1 0 2314.64 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