#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/52/2205288.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_2205288_Fobs loop_ _publ_author_name 'Suzuki, Takayoshi' _publ_section_title ; Azido(2,2'-bipyridine)(\h^5^-pentamethylcyclopentadienyl)iridium(III) hexafluorophosphate ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m488 _journal_page_last m490 _journal_volume 61 _journal_year 2005 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 83.581 _cell_angle_beta 82.954 _cell_angle_gamma 79.531 _cell_length_a 8.1208 _cell_length_b 11.3074 _cell_length_c 13.0224 _exptl_crystal_F_000 648.00 _reflns_d_resolution_high 0.7102 _[local]_cod_data_source_file is6050Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Cp*Ir(bpy)(N3)PF6' _shelx_refln_list_code 4 _shelx_f_calc_maximum 260.69 _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 21306.43 22807.06 618.46 o 2 0 0 3455.71 3960.27 116.79 o 3 0 0 30.13 35.35 4.00 o 4 0 0 1969.80 2109.55 38.01 o 5 0 0 691.76 789.37 28.50 o 6 0 0 2704.15 2776.28 38.81 o 7 0 0 1989.44 2117.58 48.78 o 8 0 0 626.70 741.67 34.62 o 9 0 0 218.03 218.27 10.52 o 10 0 0 2.38 41.37 13.26 o 11 0 0 70.39 6.70 32.77 o -10 1 0 356.23 351.35 20.14 o -9 1 0 351.57 362.92 16.46 o -8 1 0 81.77 99.92 8.53 o -7 1 0 283.20 321.34 13.02 o -6 1 0 1134.99 1276.07 57.35 o -5 1 0 9635.78 10147.35 77.07 o -4 1 0 9239.45 9749.70 56.57 o -3 1 0 7271.35 7820.61 82.74 o -2 1 0 6514.20 6769.63 72.66 o -1 1 0 926.02 823.85 13.97 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359.35 19.97 o 5 9 0 224.26 223.13 10.07 o 6 9 0 533.39 512.23 19.48 o 7 9 0 802.45 896.32 50.40 o 8 9 0 823.57 893.38 77.07 o 9 9 0 300.90 287.37 13.09 o 10 9 0 56.28 64.99 20.90 o -7 10 0 61.83 43.14 17.48 o -6 10 0 13.67 47.03 27.97 o -5 10 0 202.90 206.64 10.75 o -4 10 0 564.91 603.77 32.76 o -3 10 0 1514.56 1567.09 40.30 o -2 10 0 1599.24 1581.42 38.19 o -1 10 0 714.99 811.78 28.82 o 0 10 0 3.63 12.09 19.48 o 1 10 0 660.83 576.97 39.39 o 2 10 0 1328.59 1213.79 32.91 o 3 10 0 2230.10 2469.41 43.04 o 4 10 0 2154.40 2090.98 41.30 o 5 10 0 782.22 810.77 31.17 o 6 10 0 220.87 205.38 15.66 o 7 10 0 3.05 27.68 10.84 o 8 10 0 80.11 44.45 26.76 o 9 10 0 185.18 138.54 44.83 o -6 11 0 255.26 224.39 35.05 o -5 11 0 111.79 104.34 20.27 o -4 11 0 1.04 34.37 12.49 o -3 11 0 164.50 173.04 9.69 o -2 11 0 981.73 1069.12 35.58 o -1 11 0 2184.77 2297.97 45.47 o 0 11 0 1801.03 1839.27 40.65 o 1 11 0 890.10 913.80 61.19 o 2 11 0 58.95 57.58 8.18 o 3 11 0 169.31 149.57 9.36 o 4 11 0 745.74 799.39 33.09 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