#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217992.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_2217992_Fobs loop_ _publ_author_name 'Lorenzini, Fabio' 'Patrick, Brian O.' 'James, Brian R.' _publ_section_title ; Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate ; _journal_coeditor_code RK2075 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m512 _journal_page_last m513 _journal_volume 64 _journal_year 2008 _space_group_IT_number 8 _symmetry_space_group_name_Hall 'C -2y' _symmetry_space_group_name_H-M 'C 1 m 1' _cell_angle_alpha 90.000 _cell_angle_beta 108.213 _cell_angle_gamma 90.000 _cell_length_a 10.8310 _cell_length_b 23.7240 _cell_length_c 9.8450 _exptl_crystal_F_000 1132.00 _reflns_d_resolution_high 0.8023 _[local]_cod_data_source_file rk2075Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' bj451 in Cm' _shelx_refln_list_code 4 _shelx_F_calc_maximum 226.04 _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' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z' loop_ 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1042.83 944.82 54.94 o 3 5 -3 1456.52 1426.52 122.67 o 5 5 -3 303.16 384.30 53.65 o 7 5 -3 565.76 745.12 115.68 o 9 5 -3 80.48 42.38 57.45 o -6 6 -3 404.19 390.65 57.94 o -4 6 -3 20.38 3.33 34.94 o -2 6 -3 1178.85 1295.18 73.88 o 0 6 -3 2483.23 2838.14 157.90 o 2 6 -3 9273.04 9663.65 847.24 o 4 6 -3 804.19 1021.18 65.80 o 6 6 -3 3906.95 3766.94 144.86 o 8 6 -3 688.81 690.41 77.15 o 10 6 -3 651.94 722.53 145.93 o -5 7 -3 292.09 317.19 45.84 o -3 7 -3 6430.78 6838.57 176.34 o -1 7 -3 2393.61 2287.25 135.94 o 1 7 -3 1183.92 973.45 85.01 o 3 7 -3 525.90 699.72 85.59 o 5 7 -3 4111.90 3886.57 172.35 o 7 7 -3 1401.45 1598.46 89.84 o 9 7 -3 2085.42 2091.33 115.33 o -6 8 -3 1718.03 1545.63 138.57 o -4 8 -3 1248.41 1346.12 116.88 o -2 8 -3 8129.39 8035.30 238.50 o 0 8 -3 7120.50 6666.53 290.42 o 2 8 -3 973.97 1007.21 92.61 o 4 8 -3 7633.73 7302.83 312.86 o 6 8 -3 3007.43 3015.77 146.36 o 8 8 -3 3458.67 3413.51 139.32 o 10 8 -3 1062.36 1413.00 184.05 o -5 9 -3 3740.39 3608.60 137.31 o -3 9 -3 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