#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2215472.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_2215472_Fobs loop_ _publ_author_name 'Chang, Jian-Guo' 'He, Guo-Fang' 'Li, Yan-Fei' _publ_section_title ; (E,E)-4,4'-Dichloro-2,2'-(1,1'-azinodimethylene)diphenol ; _journal_coeditor_code FL2158 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3982 _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 89.520 _cell_angle_beta 88.792 _cell_angle_gamma 86.164 _cell_length_a 3.9105 _cell_length_b 6.2985 _cell_length_c 15.1479 _exptl_crystal_F_000 174.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file fl2158Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070524b in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 80.72 _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 0 590.13 629.61 7.66 o 2 0 0 49.80 43.79 1.08 o 3 0 0 0.34 0.59 0.48 o 4 0 0 0.01 0.08 0.64 o -4 1 0 4.86 3.87 0.96 o -3 1 0 16.24 16.33 1.89 o -2 1 0 65.80 62.79 1.29 o -1 1 0 119.61 118.45 1.49 o 0 1 0 1553.00 1505.78 7.27 o 1 1 0 6515.19 6444.97 51.11 o 2 1 0 21.12 15.38 0.84 o 3 1 0 15.01 12.52 0.76 o 4 1 0 0.05 -0.71 1.56 o -4 2 0 7.07 4.39 1.09 o -3 2 0 12.22 11.37 1.23 o -2 2 0 55.68 55.03 1.32 o -1 2 0 448.34 448.34 3.84 o 0 2 0 863.19 832.12 5.20 o 1 2 0 349.81 361.44 3.52 o 2 2 0 18.13 18.91 0.88 o 3 2 0 68.51 65.94 1.51 o 4 2 0 0.26 -0.56 1.62 o -4 3 0 22.77 23.61 2.07 o -3 3 0 0.65 -0.02 0.71 o -2 3 0 3.32 3.13 0.68 o -1 3 0 19.90 24.29 0.94 o 0 3 0 355.79 349.64 3.10 o 1 3 0 127.98 115.31 1.71 o 2 3 0 100.41 100.90 3.00 o 3 3 0 30.06 33.16 2.07 o 4 3 0 15.00 8.86 2.27 o -3 4 0 14.34 11.91 1.63 o -2 4 0 77.80 75.86 2.46 o -1 4 0 136.49 138.69 2.06 o 0 4 0 3.81 2.39 0.38 o 1 4 0 72.28 72.20 1.36 o 2 4 0 14.45 16.94 1.83 o 3 4 0 27.49 23.93 6.31 o 4 4 0 3.73 2.12 1.42 o -3 5 0 3.63 2.86 1.48 o -2 5 0 3.28 2.38 0.80 o -1 5 0 97.36 99.30 4.18 o 0 5 0 138.68 140.48 2.64 o 1 5 0 17.62 19.26 1.95 o 2 5 0 15.41 10.05 1.67 o 3 5 0 24.87 24.15 3.84 o -2 6 0 8.32 13.76 2.67 o -1 6 0 21.75 18.01 1.98 o 0 6 0 15.60 19.18 1.53 o 1 6 0 19.98 19.64 2.90 o 2 6 0 8.40 4.05 1.56 o 3 6 0 5.45 2.75 1.61 o -1 7 0 35.95 39.99 5.61 o 0 7 0 9.59 8.70 2.24 o 1 7 0 0.20 -1.20 1.90 o -1 -7 1 17.13 18.63 2.41 o 0 -7 1 0.00 -0.18 1.13 o 1 -7 1 15.93 18.59 2.31 o -3 -6 1 4.43 4.73 1.75 o -2 -6 1 4.10 5.85 1.58 o -1 -6 1 0.06 0.35 1.02 o 0 -6 1 13.08 12.59 1.32 o 1 -6 1 0.06 0.98 0.89 o 2 -6 1 55.50 63.47 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