#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/65/2016510.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_2016510_Fobs loop_ _publ_author_name '\'Slepokura, Katarzyna' 'Lis, Tadeusz' _publ_section_title ; Dihydroxyacetone (DHA) monomer complexes with CaBr~2~ and CdCl~2~ ; _journal_coeditor_code SK3189 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m127 _journal_page_last m133 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 90.730 _cell_angle_beta 100.010 _cell_angle_gamma 92.840 _cell_length_a 9.2250 _cell_length_b 9.1430 _cell_length_c 14.5040 _exptl_crystal_F_000 712.00 _reflns_d_resolution_high 0.7109 _[local]_cod_data_source_file sk31892esup2.hkl _[local]_cod_data_source_block 2e #BEGIN Tags that were not found in dictionaries: _shelx_title ' slewdc in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 268.93 _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 2 0 0 20726.80 20617.38 186.14 o 3 0 0 2142.61 2186.05 19.76 o 4 0 0 95.15 142.78 12.51 o 5 0 0 3487.63 3430.13 66.64 o 6 0 0 6002.52 6076.90 153.24 o 7 0 0 1034.03 1059.99 115.14 o 8 0 0 6.34 39.26 22.81 o 9 0 0 394.54 520.14 39.58 o 10 0 0 3.20 72.67 28.31 o 11 0 0 877.94 949.75 31.44 o 12 0 0 173.84 187.83 36.68 o -12 1 0 1176.46 1086.32 43.38 o -11 1 0 581.70 576.71 43.41 o -10 1 0 2082.97 2169.16 48.51 o -9 1 0 5172.19 5031.52 73.85 o -8 1 0 1184.85 1189.78 27.76 o -7 1 0 571.45 553.85 22.18 o -6 1 0 3885.78 3784.36 33.44 o -5 1 0 21201.51 21480.59 247.78 o -4 1 0 21388.96 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