#------------------------------------------------------------------------------ #$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $ #$Revision: 66590 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/54/2235464.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_2235464_Fobs loop_ _publ_author_name 'Li, Dong-Ying' 'Li, Guo-Ting' _publ_section_title ; catena-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-\k^2^O,O']gadolinium(III)]-bis[\m-3-(pyridin-4-yl)benzoato-\k^2^O:O']] monohydrate] ; _journal_coeditor_code HB6834 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m928 _journal_page_last m929 _journal_volume 68 _journal_year 2012 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 118.019 _cell_angle_beta 104.240 _cell_angle_gamma 90.089 _cell_length_a 9.7252 _cell_length_b 13.9535 _cell_length_c 14.0829 _exptl_crystal_F_000 806.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file hb6834Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 20101256 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 198.00 _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 18798.30 20791.53 198.31 o 3 0 0 3918.98 4175.34 66.61 o 4 0 0 5273.27 5519.53 73.93 o 5 0 0 119.21 125.79 13.33 o 6 0 0 10003.08 10580.19 187.04 o 7 0 0 28.45 40.37 17.99 o 8 0 0 3730.32 3858.29 100.67 o 9 0 0 162.41 193.84 30.33 o 10 0 0 1432.75 1447.40 74.68 o 11 0 0 145.60 193.37 37.43 o -11 1 0 324.29 383.96 43.78 o -10 1 0 1078.48 1151.27 68.70 o -9 1 0 51.56 44.06 33.14 o -8 1 0 5308.77 5405.94 193.06 o -7 1 0 0.84 5.48 5.56 o -6 1 0 9522.95 9450.02 143.00 o -5 1 0 3.32 1.86 8.48 o -4 1 0 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