#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2219161.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_2219161_Fobs loop_ _publ_author_name 'Wang, Xin' 'Li, Xiu-Ying' 'Wang, Qing-Wei' 'Che, Guang-Bo' _publ_section_title ; catena-Poly[[aqua(dipyrido[3,2-a:2',3'-c]phenazine-\k^2^N^4^,N^5^)zinc(II)]-\m-pyrazine-2,3-dicarboxylato-\k^3^N^1^,O^2^:O^3^] ; _journal_coeditor_code RZ2235 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1078 _journal_page_last m1079 _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 91.263 _cell_angle_beta 95.769 _cell_angle_gamma 98.162 _cell_length_a 6.7821 _cell_length_b 7.4349 _cell_length_c 20.4102 _exptl_crystal_F_000 540.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file rz2235Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' aa in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 244.71 _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 23157.69 24852.68 341.45 o 2 0 0 7.21 4.42 4.62 o 3 0 0 367.75 438.76 9.42 o 4 0 0 13.57 35.01 5.26 o 5 0 0 308.21 286.79 15.72 o 6 0 0 12.13 25.78 9.67 o 7 0 0 188.87 186.86 28.08 o 8 0 0 0.41 21.33 13.89 o -8 1 0 101.99 130.07 22.09 o -7 1 0 104.45 94.79 31.17 o -6 1 0 0.75 -5.29 5.98 o -5 1 0 11.15 14.77 5.92 o -4 1 0 528.38 561.80 9.62 o -3 1 0 863.54 870.04 12.45 o -2 1 0 33.22 34.75 5.19 o -1 1 0 2147.16 2034.16 27.68 o 1 1 0 165.50 148.49 3.12 o 2 1 0 2226.78 2248.72 21.30 o 3 1 0 740.26 654.19 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