#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:41:00 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181079 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/59/2215958.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_2215958_Fobs loop_ _publ_author_name 'Wang, Jun' 'Lu, Lu' 'Bai, Jian-Wei' 'Zhao, Bao-Zhong' _publ_section_title ; 4,4'-Diazenediyldiphthalic acid dihydrate ; _journal_coeditor_code HB2593 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4414 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 86.779 _cell_angle_beta 82.921 _cell_angle_gamma 71.956 _cell_length_a 5.4844 _cell_length_b 6.4908 _cell_length_c 12.8203 _exptl_crystal_F_000 204.00 _reflns_d_resolution_high 0.8348 _cod_data_source_file hb2593Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 11 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 96.02 _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 0 794.85 928.94 11.56 o 2 0 0 185.36 206.30 2.07 o 3 0 0 0.25 0.33 0.12 o 4 0 0 110.27 113.30 1.57 o 5 0 0 7.21 7.78 0.43 o 6 0 0 1.47 1.78 0.30 o -5 1 0 15.73 13.09 0.56 o -4 1 0 5.69 5.74 0.34 o -3 1 0 280.10 309.70 3.14 o -2 1 0 528.44 604.88 4.27 o -1 1 0 2365.64 2546.17 24.73 o 0 1 0 264.76 218.19 2.61 o 1 1 0 8.74 10.31 0.31 o 2 1 0 549.77 517.03 6.58 o 3 1 0 20.01 14.14 0.37 o 4 1 0 193.99 209.76 2.43 o 5 1 0 0.22 0.23 0.16 o 6 1 0 0.57 0.61 0.28 o -5 2 0 4.00 4.36 0.58 o -4 2 0 5.73 5.15 0.33 o -3 2 0 10.93 12.58 0.43 o -2 2 0 35.91 29.00 0.40 o -1 2 0 231.41 250.86 2.25 o 0 2 0 188.98 216.27 1.95 o 1 2 0 1869.04 2038.31 26.84 o 2 2 0 14.55 28.44 0.46 o 3 2 0 131.44 120.90 1.33 o 4 2 0 18.66 18.93 0.79 o 5 2 0 1.40 1.33 0.29 o 6 2 0 7.02 7.94 0.68 o -4 3 0 3.87 3.45 0.52 o -3 3 0 14.60 15.30 0.79 o -2 3 0 29.68 32.15 0.63 o -1 3 0 32.73 32.82 0.50 o 0 3 0 58.48 39.45 0.53 o 1 3 0 61.33 38.62 0.56 o 2 3 0 294.99 260.34 2.48 o 3 3 0 158.71 145.55 1.60 o 4 3 0 20.40 23.66 0.53 o 5 3 0 3.65 4.85 0.51 o 6 3 0 1.65 2.25 0.43 o -4 4 0 2.88 3.69 0.57 o -3 4 0 17.92 19.81 1.00 o -2 4 0 7.59 9.56 0.64 o -1 4 0 10.17 8.97 0.44 o 0 4 0 235.68 260.57 3.59 o 1 4 0 177.57 174.89 1.80 o 2 4 0 137.26 139.23 1.55 o 3 4 0 0.42 1.25 0.16 o 4 4 0 38.40 33.82 0.69 o 5 4 0 2.18 3.26 0.44 o 6 4 0 1.17 1.86 0.39 o -3 5 0 3.08 4.30 0.61 o -2 5 0 0.07 -0.25 0.16 o -1 5 0 0.97 1.94 0.29 o 0 5 0 21.11 23.76 0.82 o 1 5 0 2.55 2.02 0.30 o 2 5 0 100.90 85.10 1.69 o 3 5 0 0.04 1.53 0.21 o 4 5 0 137.46 154.65 1.90 o 5 5 0 3.04 3.90 0.49 o 6 5 0 0.01 0.28 0.28 o -2 6 0 0.36 0.87 0.33 o -1 6 0 0.93 0.85 0.25 o 0 6 0 1.16 0.70 0.23 o 1 6 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