#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/41/2014185.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_2014185_Fobs loop_ _publ_author_name 'Harvey, Miguel Angel' 'Baggio, Sergio' 'Iba\~nez, Andr\'es' 'Baggio, Ricardo' _publ_section_title ; Bis(acetato-\k^2^O,O')(2,9-dimethyl-1,10-phenanthroline-\k^2^N,N')mercury(II) in two differently hydrated crystal forms ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m382 _journal_page_last m385 _journal_volume 60 _journal_year 2004 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.167 _cell_angle_beta 76.646 _cell_angle_gamma 66.027 _cell_length_a 8.3619 _cell_length_b 9.4973 _cell_length_c 12.3488 _exptl_crystal_F_000 504.00 _reflns_d_resolution_high 0.7576 _[local]_cod_data_source_file hj1012Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mhhgneos81 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 236.53 _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 75.72 111.26 22.77 o 2 0 0 22082.27 22262.11 476.48 o 3 0 0 9938.27 9953.33 313.63 o 4 0 0 3052.77 2865.93 140.52 o 5 0 0 7733.22 7818.71 251.17 o 6 0 0 450.73 355.05 216.74 o 7 0 0 1142.15 1243.75 368.89 o 8 0 0 620.18 850.86 329.06 o 9 0 0 560.43 817.41 341.43 o -9 1 0 454.69 346.14 309.70 o -8 1 0 772.56 809.14 336.03 o -7 1 0 924.45 707.73 310.59 o -6 1 0 1548.69 2061.53 369.79 o -5 1 0 255.06 292.97 130.76 o -4 1 0 10232.00 10255.92 397.14 o -3 1 0 4279.43 4291.44 151.70 o -2 1 0 9561.12 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