#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/82/2208289.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_2208289_Fobs loop_ _publ_author_name 'Huang, Ping-Hsin' 'Huang, Tai-Hsiang' 'Shen, Jiun-Yi' 'Wen, Yuh-Sheng' _publ_section_title ; Pentacarbonyl[N,N-dimethyl-N'-(5-{2-[5-(4-pyridylethynyl)thiophen-2-yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten(0) ; _journal_coeditor_code CI6751 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m432 _journal_page_last m433 _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 89.606 _cell_angle_beta 86.660 _cell_angle_gamma 63.538 _cell_length_a 10.6767 _cell_length_b 11.9258 _cell_length_c 13.0623 _exptl_crystal_F_000 748.00 _reflns_d_resolution_high 0.8401 _[local]_cod_data_source_file ci6751Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' i7399 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 276.43 _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 1 0 0 8035.26 8334.05 98.41 o 2 0 0 10064.70 10315.86 105.02 o 3 0 0 1229.67 1222.68 57.15 o 4 0 0 5503.19 5577.95 238.86 o 5 0 0 6959.47 6321.73 154.29 o 6 0 0 1185.16 1242.83 99.22 o 7 0 0 2509.53 2331.01 126.74 o 8 0 0 1522.21 1503.24 125.28 o 9 0 0 1714.29 1672.22 156.25 o 10 0 0 3488.16 3656.96 288.47 o 11 0 0 1681.21 1559.46 238.97 o -10 1 0 285.57 264.43 141.40 o -9 1 0 380.46 314.21 97.76 o -8 1 0 2900.15 2763.63 161.09 o -7 1 0 6315.56 6057.05 196.53 o -6 1 0 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