#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/70/2227096.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_2227096_Fobs loop_ _publ_author_name 'Smith, Graham' 'Wermuth, Urs D.' _publ_section_title ; Guanidinium phenylarsonate--guanidine--water (1/1/2) ; _journal_coeditor_code TK2684 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1893 _journal_page_last o1894 _journal_volume 66 _journal_year 2010 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 121.856 _cell_angle_gamma 90.000 _cell_length_a 18.6545 _cell_length_b 7.6394 _cell_length_c 12.6319 _exptl_crystal_F_000 736.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file tk2684Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gs10gs9 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 269.83 _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+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' 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 17 5 -11 69.72 104.28 71.39 o 15 5 -10 1097.72 1133.66 101.16 o 17 5 -10 741.07 715.41 96.76 o 11 5 -9 232.77 230.45 57.30 o 13 5 -9 367.79 342.47 69.56 o 15 5 -9 225.05 242.91 77.20 o 17 5 -9 45.31 84.97 73.83 o 19 5 -9 3.33 1.83 89.21 o 14 6 -9 978.44 1081.47 94.15 o 16 6 -9 705.47 801.92 103.95 o -10 0 -8 807.25 949.17 119.53 o -10 2 -8 551.88 568.48 83.12 o -9 3 -8 1209.07 1261.89 91.86 o -8 4 -8 151.87 147.40 78.14 o 6 4 -8 274.73 269.33 34.15 o 8 4 -8 204.64 218.38 44.98 o 11 5 -8 2766.93 2738.09 110.73 o 13 5 -8 2483.44 2474.52 120.68 o 17 5 -8 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1432.15 1428.75 64.37 o -9 5 -4 2901.88 2873.11 75.55 o -7 5 -4 3125.97 3081.89 67.50 o -5 5 -4 2305.75 2229.37 51.75 o -1 5 -4 6645.69 6409.94 94.34 o 1 5 -4 2332.77 2413.33 80.10 o 3 5 -4 4432.89 4610.93 105.74 o 5 5 -4 4162.41 4216.55 111.18 o 9 5 -4 5434.96 5526.98 152.59 o 13 5 -4 3407.60 3542.64 145.76 o 15 5 -4 2395.58 2328.90 138.92 o 17 5 -4 3114.72 3101.93 162.85 o -10 6 -4 430.48 463.25 84.68 o -8 6 -4 350.93 273.89 87.26 o 2 6 -4 285.75 295.18 45.93 o 4 6 -4 1185.53 1151.00 73.27 o 6 6 -4 376.40 436.21 63.99 o 8 6 -4 662.48 667.54 75.17 o 10 6 -4 335.11 218.95 68.62 o 12 6 -4 524.15 547.37 85.05 o 14 6 -4 224.39 299.96 89.31 o 16 6 -4 309.89 276.40 82.13 o -7 7 -4 949.71 883.51 101.12 o 3 7 -4 813.92 751.59 68.99 o 5 7 -4 847.49 855.00 77.30 o 7 7 -4 705.33 702.89 81.52 o 9 7 -4 1329.60 1445.15 108.05 o 11 7 -4 1745.52 1749.44 123.89 o 13 7 -4 1181.27 1171.23 113.91 o 15 7 -4 1238.89 1297.74 131.29 o -4 8 -4 586.10 638.12 113.68 o 6 8 -4 2148.03 2220.99 120.50 o 8 8 -4 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