#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/56/2015624.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_2015624_Fobs loop_ _publ_author_name 'Coyle, Joanne L.' 'Fuller, Anna' 'McKee, Vickie' 'Nelson, Jane' _publ_section_title ; Comparison of copper imine and amine podates: geometric consequences of podand size and donor type ; _journal_coeditor_code SQ3035 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m472 _journal_page_last m476 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 111.627 _cell_angle_beta 102.995 _cell_angle_gamma 103.648 _cell_length_a 11.1178 _cell_length_b 13.3595 _cell_length_c 13.7998 _exptl_crystal_F_000 816.00 _reflns_d_resolution_high 0.7379 _[local]_cod_data_source_file sq3035IIsup2.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' Anna8 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 218.19 _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 0 186.96 205.50 3.86 o 2 0 0 3.13 4.90 1.90 o 3 0 0 13185.32 13628.88 110.89 o 4 0 0 1497.72 1515.60 16.89 o 5 0 0 7.88 12.49 3.29 o 6 0 0 301.19 378.57 9.41 o 7 0 0 326.79 283.14 9.08 o 8 0 0 184.00 177.03 8.43 o 9 0 0 391.22 375.68 14.16 o 10 0 0 37.23 31.49 7.70 o 11 0 0 264.10 244.71 19.69 o 12 0 0 9.63 11.02 10.88 o 13 0 0 103.31 109.87 17.93 o -13 1 0 125.23 124.23 18.29 o -12 1 0 380.82 380.76 24.16 o -11 1 0 73.69 80.39 10.05 o -10 1 0 162.90 164.24 11.94 o -9 1 0 43.27 36.96 7.21 o -8 1 0 944.47 915.38 16.36 o -7 1 0 8.22 13.41 4.44 o -6 1 0 442.52 520.02 11.72 o -5 1 0 3800.71 3875.46 42.50 o -4 1 0 7853.68 8034.49 138.79 o -3 1 0 21144.33 20975.59 172.12 o -2 1 0 327.87 313.99 4.68 o -1 1 0 4471.43 4450.40 34.91 o 0 1 0 599.38 584.40 31.24 o 1 1 0 2442.80 2579.53 21.61 o 2 1 0 1260.74 1324.87 13.52 o 3 1 0 14.67 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