#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/71/2217135.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_2217135_Fobs loop_ _publ_author_name 'Monkowius, Uwe' 'Ritter, Stefan' 'K\"onig, Burkhard' 'Yersin, Hartmut' 'Zabel, Manfred' _publ_section_title ; {Bis[2-(diphenylphosphanyl)phenyl] ether-\k^2^P,P'}(1,1'-dibenzyl-1H,1'H-4,4'bi-1,2,3-triazole-\k^2^N^3^,N^3'^)copper(I) hexafluoridophosphate dichloromethane hemisolvate ; _journal_coeditor_code IM2049 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m195 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.298 _cell_angle_beta 87.325 _cell_angle_gamma 71.990 _cell_length_a 13.56570 _cell_length_b 14.3708 _cell_length_c 29.0210 _exptl_crystal_F_000 2226.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file im2049Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' F149 STOE IPDS MEASUREMENT ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 368.46 _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 _refln_sint/lambda -3 0 0 12454.53 14428.90 815.15 o 0.11628 4 0 0 261.13 451.02 247.51 o 0.15504 5 0 0 4246.62 5014.99 395.91 o 0.19380 7 -1 0 3059.16 2983.23 297.10 o 0.28474 -6 1 0 13164.10 12478.35 330.58 o 0.24632 -5 1 0 10797.51 10624.58 297.91 o 0.20803 -4 1 0 4716.94 5280.76 220.52 o 0.16995 -3 1 0 5884.25 3789.82 226.88 o 0.13227 -2 1 0 12250.93 8515.52 293.68 o 0.09545 -1 1 0 19509.58 30428.55 413.92 o 0.06107 2 1 0 8695.82 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578.98 115.90 o 0.23876 6 1 9 1121.95 1329.42 108.03 o 0.26930 7 1 9 21.40 15.10 105.84 o 0.30173 8 1 9 172.33 162.09 101.19 o 0.33551 9 1 9 2605.35 2727.86 130.33 o 0.37027 10 1 9 1041.60 979.99 127.72 o 0.40575 11 1 9 863.29 891.68 146.00 o 0.44178 12 1 9 19.30 31.95 130.41 o 0.47824 13 1 9 4926.18 4787.40 197.56 o 0.51504 14 1 9 642.75 589.41 171.17 o 0.55210 15 1 9 66.90 91.73 225.81 o 0.58938 -8 2 9 464.03 327.43 154.12 o 0.37219 -7 2 9 2776.16 2476.27 187.39 o 0.33780 -6 2 9 2889.25 2652.38 169.44 o 0.30446 -5 2 9 1335.31 1235.31 145.67 o 0.27256 -4 2 9 47.77 33.03 134.94 o 0.24267 -3 2 9 8255.44 7640.96 203.94 o 0.21561 -2 2 9 3046.12 2450.76 143.25 o 0.19260 -1 2 9 77.99 65.04 81.52 o 0.17523 0 2 9 1069.54 1061.76 110.23 o 0.16529 1 2 9 30997.29 33644.59 301.53 o 0.16414 2 2 9 9493.46 8731.53 186.64 o 0.17195 3 2 9 1774.66 1555.56 132.88 o 0.18760 4 2 9 1956.69 2178.13 137.02 o 0.20935 5 2 9 157.94 161.40 111.20 o 0.23551 6 2 9 75.93 52.17 120.50 o 0.26478 7 2 9 654.52 743.07 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