#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:08:42 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180969 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/49/2204954.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_2204954_Fobs loop_ _publ_author_name 'Bruno, Giuseppe' 'Rotondo, Archimede' 'Nicol\'o, Francesco' 'Foti, Francesco' 'Grassi, Giovanni' 'Risitano, Francesco' _publ_section_title ; 3-Bromo-1,4-diphenyl-1,2,7,9-tetraazaspiro[5.4]dec-2-ene-6,8,10-trione acetone solvate ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o142 _journal_page_last o144 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 71.315 _cell_angle_beta 86.159 _cell_angle_gamma 87.836 _cell_length_a 12.0273 _cell_length_b 13.3804 _cell_length_c 13.4158 _exptl_crystal_F_000 936.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file rz6025Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sipfa CON ABS in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 207.70 _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 2 0 0 418.52 413.48 9.11 o 3 0 0 171.57 212.85 10.20 o 4 0 0 7255.16 6665.41 44.70 o 5 0 0 4.74 5.88 10.86 o 6 0 0 2283.31 2308.00 34.26 o 7 0 0 121.90 103.67 17.41 o 8 0 0 437.66 468.61 24.62 o 9 0 0 463.80 434.66 27.73 o 10 0 0 1372.39 1471.38 41.62 o 11 0 0 166.18 183.28 27.83 o 12 0 0 602.49 523.50 35.16 o 13 0 0 75.91 102.88 28.05 o 14 0 0 228.63 159.44 31.71 o -14 1 0 302.73 267.12 34.48 o -13 1 0 94.86 66.30 27.38 o -12 1 0 4.03 -21.29 23.72 o -11 1 0 65.29 47.56 24.61 o -10 1 0 139.67 140.37 25.50 o -9 1 0 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