#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/53/2015386.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_2015386_Fobs loop_ _publ_author_name 'Skakle, Janet M. S.' 'Wardell, James L.' 'Wardell, Solange M. S. V.' _publ_section_title ; Formation of ladders from R~4~^4^(8) and R~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts ; _journal_coeditor_code SK3016 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o312 _journal_page_last o314 _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 78.328 _cell_angle_beta 86.105 _cell_angle_gamma 66.388 _cell_length_a 7.2865 _cell_length_b 8.2885 _cell_length_c 8.4596 _exptl_crystal_F_000 208.00 _reflns_d_resolution_high 0.7687 _[local]_cod_data_source_file sk3016Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 05src566' _shelx_refln_list_code 4 _shelx_f_calc_maximum 86.85 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ 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o 2 6 1 229.58 236.64 4.30 o 3 6 1 112.89 117.98 2.20 o 4 6 1 101.35 103.67 2.08 o 5 6 1 0.55 0.98 0.50 o 6 6 1 5.56 4.25 0.65 o 7 6 1 50.63 50.30 2.18 o 8 6 1 6.73 5.15 1.35 o 9 6 1 36.50 34.86 3.39 o -4 7 1 0.01 -0.89 2.06 o -3 7 1 0.16 -2.02 2.02 o -2 7 1 45.16 40.51 2.69 o -1 7 1 80.67 74.47 3.03 o 0 7 1 18.44 17.31 1.18 o 1 7 1 308.77 284.08 7.03 o 2 7 1 96.48 103.20 2.83 o 3 7 1 347.78 320.34 5.89 o 4 7 1 180.43 183.71 3.45 o 5 7 1 4.83 3.77 0.72 o 6 7 1 56.47 56.52 2.14 o 7 7 1 99.62 103.02 3.67 o 8 7 1 10.61 6.96 1.47 o 9 7 1 1.72 3.44 2.38 o -2 8 1 21.45 17.70 2.80 o -1 8 1 18.15 14.59 1.85 o 0 8 1 30.64 29.99 1.83 o 1 8 1 22.89 11.54 1.43 o 2 8 1 26.41 22.39 1.27 o 3 8 1 0.04 1.18 0.78 o 4 8 1 144.73 144.39 3.27 o 5 8 1 3.91 5.44 0.89 o 6 8 1 83.02 84.40 2.90 o 7 8 1 8.67 7.04 1.66 o 8 8 1 30.27 26.27 3.57 o -1 9 1 21.37 16.76 2.80 o 0 9 1 98.66 95.90 6.36 o 1 9 1 1.21 -0.39 1.74 o 2 9 1 75.10 61.62 2.61 o 3 9 1 119.37 112.34 3.71 o 4 9 1 0.72 -0.38 0.73 o 5 9 1 186.22 169.91 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46.36 35.08 2.02 o 1 5 9 41.54 37.97 2.59 o 2 5 9 150.49 143.28 6.18 o 3 5 9 2.52 1.09 1.74 o 4 5 9 39.74 42.21 3.25 o 5 5 9 13.19 11.28 4.28 o -1 6 9 7.76 7.35 2.73 o 0 6 9 18.07 21.33 2.88 o 1 6 9 23.57 22.68 2.84 o 2 6 9 83.67 86.09 4.06 o 3 6 9 34.85 43.60 4.47 o 4 6 9 191.80 189.22 10.44 o 5 6 9 0.19 0.65 2.85 o 0 7 9 20.90 19.38 3.49 o 1 7 9 22.51 19.09 3.01 o 2 7 9 2.12 1.61 2.40 o 3 7 9 6.22 6.44 2.59 o 4 7 9 57.42 56.20 4.15 o -2 -2 10 0.44 0.93 6.48 o -1 -2 10 1.22 2.14 1.62 o 0 -2 10 27.22 25.45 2.71 o -3 -1 10 4.54 2.98 2.40 o -2 -1 10 11.36 16.18 2.54 o -1 -1 10 113.58 122.04 6.59 o 0 -1 10 0.91 1.84 1.55 o 1 -1 10 150.56 167.54 9.66 o 2 -1 10 46.76 44.74 6.22 o -3 0 10 1.48 3.36 1.89 o -2 0 10 70.53 68.02 3.46 o -1 0 10 52.29 48.03 2.60 o 0 0 10 13.26 10.66 1.68 o 1 0 10 4.56 5.32 2.98 o 2 0 10 65.62 66.39 5.71 o 3 0 10 3.51 -2.85 2.85 o -3 1 10 65.23 63.64 4.65 o -2 1 10 1.32 0.87 1.61 o -1 1 10 5.40 4.14 1.22 o 0 1 10 47.47 51.03 3.55 o 1 1 10 15.16 15.03 2.53 o 2 1 10 21.68 17.00 2.27 o 3 1 10 41.29 30.25 3.08 o -3 2 10 62.48 62.50 7.00 o -2 2 10 12.92 11.80 2.00 o -1 2 10 19.62 18.28 2.38 o 0 2 10 100.24 101.62 4.55 o 1 2 10 1.05 2.17 1.11 o 2 2 10 37.25 28.73 3.87 o 3 2 10 0.12 0.74 1.60 o 4 2 10 14.00 10.40 1.97 o -2 3 10 4.54 5.55 3.39 o -1 3 10 37.10 41.74 5.11 o 0 3 10 104.57 110.41 7.65 o 1 3 10 0.17 0.35 2.15 o 2 3 10 366.69 408.56 16.86 o 3 3 10 28.51 36.10 3.11 o 4 3 10 170.20 194.14 8.95 o -1 4 10 22.91 21.07 2.40 o 0 4 10 7.60 5.71 2.09 o 1 4 10 6.10 0.60 2.40 o 2 4 10 26.30 26.74 2.90 o 3 4 10 0.00 -2.01 2.01 o 4 4 10 18.16 10.94 2.29 o 0 5 10 17.49 16.15 2.84 o 1 5 10 19.48 17.77 2.34 o 2 5 10 17.84 14.89 2.36 o 3 5 10 6.25 0.64 2.82 o 4 5 10 38.94 36.38 3.17 o 1 6 10 3.41 1.61 1.89 o 2 6 10 18.91 8.30 2.38 o 3 6 10 36.27 41.01 3.89 o