#------------------------------------------------------------------------------ #$Date: 2009-12-10 09:06:56 +0200 (Thu, 10 Dec 2009) $ #$Revision: 927 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017379.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_2017379_Fobs loop_ _publ_author_name 'Atria, Ana Mar\'ia' 'Astete, Alan' 'Garland, Maria Teresa' 'Baggio, Ricardo' _publ_section_title ; Two isomorphous crotonatolanthanide complexes: tetra-\m-but-2-enoato-bis[diaqua(but-2-enoato)Ln]--2,6-diaminopurine (1/2) (Ln = Dy and Ho) ; _journal_coeditor_code FG3130 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m411 _journal_page_last m414 _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 101.234 _cell_angle_beta 107.521 _cell_angle_gamma 106.587 _cell_length_a 8.6441 _cell_length_b 11.1173 _cell_length_c 13.3944 _exptl_crystal_F_000 598.00 _reflns_d_resolution_high 0.7621 _[local]_cod_data_source_file fg3130Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_refln_list_code 4 _shelx_f_calc_maximum 264.77 _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 3950.26 4287.86 29.43 o 2 0 0 169.83 197.62 6.03 o 3 0 0 5968.01 6284.53 46.85 o 4 0 0 16319.17 16968.21 107.67 o 5 0 0 1442.25 1406.28 22.75 o 6 0 0 7078.91 7265.70 65.08 o 7 0 0 413.20 420.90 14.81 o 8 0 0 3890.58 4085.81 92.06 o -8 1 0 5223.83 5432.37 61.04 o -7 1 0 656.11 635.95 17.66 o -6 1 0 9136.59 9259.43 74.91 o -5 1 0 2977.91 2857.02 32.80 o -4 1 0 7888.89 8137.44 59.94 o -3 1 0 194.09 143.01 9.87 o -2 1 0 11918.71 12496.40 73.61 o -1 1 0 14952.48 15729.44 119.51 o 0 1 0 16650.79 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