#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/54/2215474.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_2215474_Fobs loop_ _publ_author_name 'Ni, Zhong-Hai' 'Zhang, Li-Fang' 'Wang, Hai-Long' _publ_section_title ; 6-Methoxy-2-[tri(2-pyridyl)methyliminomethyl]phenol ; _journal_coeditor_code FL2160 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4052 _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 80.240 _cell_angle_beta 78.177 _cell_angle_gamma 87.504 _cell_length_a 8.8601 _cell_length_b 10.7062 _cell_length_c 11.1471 _exptl_crystal_F_000 416.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file fl2160Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070429a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 141.21 _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 0 287.36 291.82 10.05 o 2 0 0 4468.79 4222.07 73.30 o 3 0 0 10.19 6.80 0.22 o 4 0 0 1808.91 1897.40 22.04 o 5 0 0 197.57 239.15 3.14 o 6 0 0 67.08 75.63 1.60 o 7 0 0 39.45 38.83 1.44 o 8 0 0 29.60 24.58 1.22 o 9 0 0 37.96 32.73 1.53 o 10 0 0 9.30 9.29 0.91 o -10 1 0 0.53 0.44 0.50 o -9 1 0 19.55 17.40 1.19 o -8 1 0 37.67 38.10 1.57 o -7 1 0 3.66 3.71 0.41 o -6 1 0 2.97 3.16 0.44 o -5 1 0 168.86 175.56 2.43 o -4 1 0 33.55 33.90 0.47 o -3 1 0 13.00 12.19 0.22 o -2 1 0 257.96 266.61 3.57 o -1 1 0 4419.31 4117.31 210.70 o 0 1 0 38.23 32.02 0.70 o 1 1 0 998.94 941.81 10.76 o 2 1 0 7528.47 6592.56 105.04 o 3 1 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0 20.84 20.70 0.78 o -5 11 0 4.38 5.84 0.60 o -4 11 0 45.08 40.02 1.82 o -3 11 0 2.31 4.71 0.76 o -2 11 0 105.10 105.85 3.10 o -1 11 0 1.41 1.15 0.49 o 0 11 0 2.15 2.63 0.50 o 1 11 0 40.81 44.21 1.51 o 2 11 0 0.96 0.34 0.31 o 3 11 0 7.35 6.80 0.52 o 4 11 0 0.77 1.07 0.23 o -3 12 0 29.88 31.82 1.62 o -2 12 0 0.76 0.75 0.52 o -1 12 0 1.71 1.35 0.52 o 0 12 0 2.04 2.34 0.50 o 1 12 0 0.38 0.24 0.37 o 2 12 0 9.53 9.70 0.49 o 3 12 0 12.53 14.01 0.73 o -3 -12 1 2.60 3.73 0.44 o -2 -12 1 6.37 5.76 0.57 o -1 -12 1 0.31 0.64 0.29 o 0 -12 1 15.70 15.32 0.68 o 1 -12 1 0.05 0.00 0.37 o 2 -12 1 1.10 1.66 0.55 o 3 -12 1 15.83 19.08 1.28 o -4 -11 1 20.05 21.14 0.71 o -3 -11 1 2.87 1.87 0.34 o -2 -11 1 4.27 4.27 0.49 o -1 -11 1 36.09 33.70 0.91 o 0 -11 1 3.49 3.25 0.52 o 1 -11 1 10.11 9.14 0.80 o 2 -11 1 13.65 12.09 0.96 o 3 -11 1 25.83 28.52 1.46 o 4 -11 1 3.70 2.42 0.67 o 5 -11 1 35.42 34.02 1.04 o -4 -10 1 0.00 0.02 0.18 o -3 -10 1 6.78 5.91 0.47 o -2 -10 1 4.01 5.23 0.45 o -1 -10 1 1.66 1.20 0.67 o 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