#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:19:52 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180850 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018138.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_2018138_Fobs loop_ _publ_author_name 'Pavlishchuk, Anna V.' 'Kolotilov, Sergey V.' 'Fritsky, Igor O.' 'Zeller, Matthias' 'Addison, Anthony W.' 'Hunter, Allen D.' _publ_section_title ; Structural trends in a series of isostructural lanthanide--copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[\m~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[\m~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate ; _journal_coeditor_code GD3394 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m255 _journal_page_last m265 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.720 _cell_angle_beta 91.000 _cell_angle_gamma 105.398 _cell_length_a 9.6507 _cell_length_b 11.5713 _cell_length_c 16.2542 _exptl_crystal_F_000 1210.00 _reflns_d_resolution_high 0.6849 _cod_data_source_file gd3394IVsup5.hkl _cod_data_source_block IV #BEGIN Tags that were not found in dictionaries: _shelx_title ' 10mz172_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 494.38 _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 72534.51 86913.96 1635.85 o 2 0 0 4360.91 4613.59 75.09 o 3 0 0 791.40 921.45 39.35 o 4 0 0 13357.93 14208.24 270.71 o 5 0 0 24100.44 27618.80 370.38 o 6 0 0 9040.20 10063.22 211.80 o 7 0 0 651.11 626.48 49.58 o 8 0 0 95.78 114.23 38.01 o 9 0 0 4538.63 4738.80 164.87 o 10 0 0 1734.59 1884.97 105.58 o 11 0 0 3.47 41.05 24.98 o 12 0 0 80.02 171.52 30.43 o 13 0 0 657.76 85.76 35.96 o -13 1 0 1711.60 1120.43 96.83 o -12 1 0 1132.47 968.07 121.73 o -11 1 0 3336.88 3429.12 146.36 o -10 1 0 6010.26 6962.27 427.42 o -9 1 0 1517.45 1778.69 102.69 o -8 1 0 2558.83 3055.94 111.64 o -7 1 0 13116.96 13932.16 228.65 o -6 1 0 15862.97 18849.90 277.00 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