#------------------------------------------------------------------------------ #$Date: 2011-08-08 08:56:15 +0300 (Mon, 08 Aug 2011) $ #$Revision: 23417 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2018150.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_2018150_Fobs loop_ _publ_author_name 'Han, Lei' 'Xu, Lan-Ping' 'Zhao, Wen-Na' _publ_section_title ; A chiral interdigitated supramolecular network assembled from single-stranded helical tubes ; _journal_coeditor_code KY3002 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m227 _journal_page_last m229 _journal_volume 67 _journal_year 2011 _space_group_IT_number 78 _symmetry_space_group_name_Hall 'P 4cw' _symmetry_space_group_name_H-M 'P 43' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 8.4243 _cell_length_b 8.4243 _cell_length_c 25.6975 _exptl_crystal_F_000 824.00 _reflns_d_resolution_high 0.8414 _[local]_cod_data_source_file ky3002Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' A in P4(3)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 162.47 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x, z+3/4' '-x, -y, z+1/2' 'y, -x, z+1/4' 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 0 1 -30 91.76 47.76 42.06 o 1 1 -30 84.26 112.47 42.87 o 0 1 -29 105.30 111.74 41.15 o 1 1 -29 48.64 69.82 40.01 o -1 2 -29 10.96 23.48 36.85 o 0 2 -29 52.16 100.97 41.19 o 1 2 -29 63.61 19.86 49.48 o 2 2 -29 125.70 171.50 52.82 o 0 3 -29 28.11 21.95 50.80 o 0 0 -28 342.72 322.68 88.09 o 0 1 -28 6.34 -13.91 39.72 o 1 1 -28 32.32 18.48 37.76 o -1 2 -28 249.74 272.47 43.07 o 0 2 -28 93.71 115.85 40.06 o 1 2 -28 14.90 21.87 47.44 o 2 2 -28 0.38 13.63 47.44 o -2 3 -28 2.40 24.41 50.58 o -1 3 -28 35.43 52.32 42.59 o 0 3 -28 16.74 9.50 41.31 o 1 3 -28 157.07 112.22 52.57 o 2 3 -28 68.17 99.56 51.67 o 0 4 -28 33.33 21.87 43.30 o 0 1 -27 124.03 130.40 39.14 o 1 1 -27 98.14 120.88 37.34 o -1 2 -27 15.28 33.74 37.17 o 0 2 -27 112.43 139.33 34.50 o 1 2 -27 136.22 142.31 39.46 o 2 2 -27 109.17 152.50 47.37 o -2 3 -27 50.56 61.74 67.40 o -1 3 -27 124.54 103.11 42.04 o 0 3 -27 25.91 26.02 41.02 o 1 3 -27 23.92 50.06 49.34 o 2 3 -27 69.63 92.47 50.02 o 3 3 -27 18.69 36.14 50.14 o -2 4 -27 61.85 37.69 54.70 o -1 4 -27 47.52 52.45 41.73 o 0 4 -27 45.29 43.98 43.38 o 1 4 -27 81.73 106.39 45.03 o 2 4 -27 21.56 36.45 50.64 o 0 1 -26 101.65 111.09 37.38 o 1 1 -26 319.93 303.91 41.12 o -1 2 -26 10.78 4.88 36.77 o 0 2 -26 63.49 60.33 32.08 o 1 2 -26 166.81 163.19 38.78 o 2 2 -26 38.89 44.65 37.73 o -2 3 -26 198.28 215.59 51.44 o -1 3 -26 5.66 28.74 38.87 o 0 3 -26 221.74 262.26 45.37 o 1 3 -26 29.54 21.06 38.98 o 2 3 -26 12.49 4.65 49.26 o 3 3 -26 100.95 72.24 47.14 o -3 4 -26 79.49 73.93 54.96 o -2 4 -26 8.85 -0.57 54.65 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60.16 o