#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/31/2223170.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_2223170_Fobs loop_ _publ_author_name 'Yang, Ting-Hai' 'Chen, Qiang' 'Zhuang, Wei' 'Wang, Zhe' 'Yue, Bang-Yi' _publ_section_title ; Poly[[diaquahemi-\m~4~-oxalato-\m~2~-oxalato-praseodymium(III)] monohydrate] ; _journal_coeditor_code NK2001 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1152 _journal_page_last m1153 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 98.330 _cell_angle_beta 99.814 _cell_angle_gamma 96.734 _cell_length_a 6.0367 _cell_length_b 7.6222 _cell_length_c 8.9353 _exptl_crystal_F_000 310.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file nk2001Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 133.84 _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 14952.32 9060.27 89.70 o 2 0 0 7699.10 7029.55 95.06 o 3 0 0 3326.44 3426.38 78.28 o 4 0 0 3490.66 3849.32 93.75 o 5 0 0 4086.93 4189.94 110.05 o 6 0 0 1517.02 1707.72 82.33 o -7 1 0 53.49 54.85 19.63 o -6 1 0 5.06 12.14 11.30 o -5 1 0 71.11 52.59 13.80 o -4 1 0 810.18 954.03 51.40 o -3 1 0 1390.00 1578.63 56.87 o -2 1 0 422.98 444.00 25.10 o -1 1 0 154.52 181.01 27.18 o 0 1 0 701.82 765.22 20.11 o 1 1 0 28.14 33.69 4.82 o 2 1 0 4855.93 5286.34 54.54 o 3 1 0 3718.05 4162.60 58.98 o 4 1 0 1970.02 2221.71 48.56 o 5 1 0 1152.74 1224.71 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