#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/63/2016380.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_2016380_Fobs loop_ _publ_author_name 'Lipstman, Sophia' 'Goldberg, Israel' _publ_section_title ; Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents ; _journal_coeditor_code GD3172 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m53 _journal_page_last m57 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 81.382 _cell_angle_beta 87.328 _cell_angle_gamma 87.038 _cell_length_a 7.7243 _cell_length_b 13.2668 _cell_length_c 14.5878 _exptl_crystal_F_000 654.00 _reflns_d_resolution_high 0.8204 _[local]_cod_data_source_file gd3172IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' so71' _shelx_refln_list_code 4 _shelx_f_calc_maximum 203.45 _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 1378.63 1203.58 27.99 o 2 0 0 1.79 9.60 4.72 o 3 0 0 687.67 698.13 23.43 o 4 0 0 6859.44 7020.16 162.25 o 5 0 0 1824.55 1845.72 51.91 o 6 0 0 65.28 63.14 11.55 o 7 0 0 555.78 560.78 26.69 o 8 0 0 5.52 12.86 16.27 o 9 0 0 26.19 8.14 16.44 o -9 1 0 527.57 499.43 41.50 o -8 1 0 381.81 390.72 25.55 o -7 1 0 303.53 338.32 20.83 o -6 1 0 1263.40 1265.90 43.12 o -5 1 0 2109.32 2092.75 59.07 o -4 1 0 884.04 920.26 29.29 o -3 1 0 504.59 460.54 13.83 o -2 1 0 4693.31 4270.78 84.30 o -1 1 0 4981.95 4803.08 83.81 o 1 1 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