#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:51:04 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180806 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/37/2013710.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_2013710_Fobs loop_ _publ_author_name 'Kolitsch, Uwe' _publ_section_title ; Two bismuth oxalate hydrates and revision of their chemical formulae ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m501 _journal_page_last m504 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 101.150 _cell_angle_beta 101.760 _cell_angle_gamma 106.170 _cell_length_a 9.1940 _cell_length_b 9.4580 _cell_length_c 11.1760 _exptl_crystal_F_000 756.00 _reflns_d_resolution_high 0.6593 _cod_data_source_file ta1420IIsup3.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' biox in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 310.61 _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 30205.69 29438.40 889.77 o 2 0 0 2236.50 2519.81 34.33 o 3 0 0 47.83 85.95 9.86 o 4 0 0 9508.80 9312.30 183.59 o 5 0 0 5245.68 5202.30 80.62 o 6 0 0 37145.62 38742.82 702.29 o 7 0 0 19438.32 19548.59 421.14 o 8 0 0 689.36 665.93 62.26 o 9 0 0 673.90 583.45 38.76 o 10 0 0 561.62 438.95 76.70 o 11 0 0 4.84 9.85 82.12 o 12 0 0 4519.66 4719.02 445.50 o -12 1 0 2399.27 2051.90 181.89 o -11 1 0 11532.33 12723.62 471.48 o -10 1 0 838.84 859.14 80.56 o -9 1 0 777.64 743.70 62.65 o -8 1 0 14.79 -36.13 36.13 o -7 1 0 2746.93 2624.34 112.90 o -6 1 0 6498.24 6232.81 197.86 o -5 1 0 37057.25 37269.57 1001.96 o -4 1 0 51101.05 51876.01 2136.19 o -3 1 0 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