#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/28/2232856.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_2232856_Fobs loop_ _publ_author_name 'Xiao, Ye-Lan' 'Zhou, Li-Li' 'Gao, Sen' 'Jin, Qiong-Hua' 'Zhang, Cun-Lin' _publ_section_title ; [1,3-Bis(diphenylphosphanyl)propane-\k^2^P,P'](1,10-phenanthroline-\k^2^N,N')copper(I) perchlorate ; _journal_coeditor_code LR2032 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1713 _journal_page_last m1714 _journal_volume 67 _journal_year 2011 _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 90.126 _cell_angle_gamma 90.000 _cell_length_a 16.6548 _cell_length_b 12.9238 _cell_length_c 32.9360 _exptl_crystal_F_000 3120.00 _reflns_d_resolution_high 0.8394 _[local]_cod_data_source_file lr2032Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I Cc R = 0.09' _shelx_refln_list_code 4 _shelx_f_calc_maximum 645.43 _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+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 -1 1 -39 420.90 652.90 187.18 o 1 1 -39 808.62 786.60 180.64 o -4 0 -38 428.10 520.66 276.34 o -2 0 -38 2091.63 2278.26 422.84 o 0 0 -38 314.43 393.31 207.65 o 2 0 -38 2269.12 2380.90 403.98 o 4 0 -38 783.15 1235.19 348.72 o -3 1 -38 1107.72 1322.32 244.17 o -1 1 -38 425.46 612.35 168.31 o 1 1 -38 205.30 253.20 150.68 o 3 1 -38 479.53 643.74 169.47 o -4 2 -38 1146.71 1214.20 326.12 o -2 2 -38 1420.55 1712.31 284.28 o 0 2 -38 139.28 267.81 139.27 o 2 2 -38 736.44 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