#------------------------------------------------------------------------------ #$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $ #$Revision: 1024 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017506.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_2017506_Fobs loop_ _publ_author_name 'Tafeenko, Viktor A.' 'Gurskiy, Stanislav I.' 'Fazylbekov, Marat F.' 'Baranov, Andrey N.' 'Aslanov, Leonid A.' _publ_section_title ; Luminescence properties of the structure built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olate and caesium(I) ; _journal_coeditor_code FG3147 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m32 _journal_page_last m34 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 113.040 _cell_angle_beta 90.834 _cell_angle_gamma 100.401 _cell_length_a 5.8737 _cell_length_b 9.2927 _cell_length_c 9.6759 _exptl_crystal_F_000 296.00 _reflns_d_resolution_high 0.7579 _[local]_cod_data_source_file fg3147Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 'E cs1 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 143.14 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 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5060.72 5150.36 158.59 o 1 2 0 756.91 761.53 38.74 o 2 2 0 255.83 307.95 40.18 o 3 2 0 3411.57 3722.48 258.40 o 4 2 0 653.55 667.31 48.62 o 5 2 0 260.18 292.86 53.56 o 6 2 0 6.16 -10.48 41.16 o 7 2 0 42.77 1.05 38.18 o -7 3 0 134.62 99.84 30.06 o -6 3 0 86.14 45.07 30.74 o -5 3 0 19.69 4.56 20.61 o -4 3 0 679.60 759.59 31.26 o -3 3 0 2155.56 2203.97 100.44 o -2 3 0 5717.96 5586.23 40.33 o -1 3 0 125.19 127.94 9.92 o 0 3 0 4248.83 4369.75 66.52 o 1 3 0 3902.26 4205.58 37.41 o 2 3 0 1806.64 1991.91 116.31 o 3 3 0 145.33 162.03 24.80 o 4 3 0 45.12 47.17 36.69 o 5 3 0 308.86 336.75 104.65 o 6 3 0 220.53 212.16 29.99 o -7 4 0 0.96 17.03 22.41 o -6 4 0 59.56 101.66 67.44 o -5 4 0 1388.06 1415.05 91.34 o -4 4 0 671.42 724.69 33.24 o -3 4 0 459.78 480.03 47.13 o -2 4 0 2279.03 2107.68 34.32 o -1 4 0 4756.03 4800.64 67.93 o 0 4 0 1276.20 1338.68 31.30 o 1 4 0 96.70 110.83 15.37 o 2 4 0 1016.90 1146.90 75.46 o 3 4 0 1354.75 1588.92 240.80 o 4 4 0 213.11 192.17 52.07 o 5 4 0 55.02 33.19 25.49 o 6 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