#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2214349.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_2214349_Fobs loop_ _publ_author_name 'Yu, Miao' 'Liu, Shu-Xia' 'Xie, Lin-Hua' 'Cao, Rui-Ge' 'Ren, Yuan-Hang' _publ_section_title ; Poly[tetraaquabis(\m~4~-cyclohexane-1,4-dicarboxylato-\k^6^O:O,O':O'':O'',O''')hemi(\m~2~-cyclohexane-1,4-dicarboxylato-\k^2^O:O')hemi(\m~2~-cyclohexane-1,4-dicarboxylato-\k^4^O,O':O'',O''')dipraseodymium(III)] ; _journal_coeditor_code NG2275 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1889 _journal_page_last m1890 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 94.794 _cell_angle_beta 115.818 _cell_angle_gamma 101.128 _cell_length_a 11.4387 _cell_length_b 11.9640 _cell_length_c 12.3426 _exptl_crystal_F_000 856.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file ng2275Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 311.21 _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 40992.74 39788.11 947.47 o 3 0 0 11463.96 11685.63 194.67 o 4 0 0 4794.31 4560.20 103.64 o 5 0 0 6176.46 6234.47 108.41 o 6 0 0 1442.78 1508.54 62.60 o 7 0 0 3387.81 3443.36 76.72 o 8 0 0 3441.49 3597.18 213.51 o 9 0 0 816.30 788.82 42.50 o 10 0 0 39.25 0.00 43.73 o 11 0 0 30.11 58.84 35.63 o -12 1 0 5647.59 5590.20 314.20 o -11 1 0 5735.58 5468.73 200.29 o -10 1 0 7981.06 8027.20 261.83 o -9 1 0 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