#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:09:00 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180970 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/50/2205071.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_2205071_Fobs loop_ _publ_author_name 'Chan, Wing Yan' 'Lough, Alan J.' 'Manners, Ian' _publ_section_title ; Methylchlorosila[1]ferrocenophane ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m375 _journal_page_last m376 _journal_volume 61 _journal_year 2005 _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 95.295 _cell_angle_gamma 90.000 _cell_length_a 13.4146 _cell_length_b 10.2135 _cell_length_c 7.8627 _exptl_crystal_F_000 536.00 _reflns_d_resolution_high 0.7690 _cod_data_source_file hb6140Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' k04197 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 152.33 _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 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67.72 41.28 o 3 5 -9 22.22 76.99 45.39 o 5 5 -9 299.21 343.88 57.57 o 0 6 -9 199.66 171.89 47.00 o 2 6 -9 14.87 -12.74 54.26 o -8 0 -8 108.53 129.72 40.63 o -6 0 -8 1553.19 1696.32 120.78 o -4 0 -8 453.44 500.19 50.40 o -2 0 -8 1661.77 1803.21 109.42 o 0 0 -8 286.32 302.93 31.12 o 2 0 -8 992.48 1111.93 66.95 o 4 0 -8 1728.33 1777.19 69.59 o 6 0 -8 2495.31 2817.09 139.58 o 8 0 -8 115.03 98.68 21.93 o -9 1 -8 0.75 25.20 32.09 o -7 1 -8 21.05 6.55 24.63 o -5 1 -8 201.68 173.68 25.82 o -3 1 -8 116.36 96.27 19.84 o -1 1 -8 36.69 8.23 16.28 o 1 1 -8 17.34 8.99 13.65 o 3 1 -8 74.38 81.78 15.93 o 5 1 -8 359.34 409.23 17.17 o 7 1 -8 1.54 -3.54 11.84 o 9 1 -8 152.39 182.29 30.07 o -8 2 -8 200.48 204.40 34.38 o -6 2 -8 1000.01 1052.55 64.73 o -4 2 -8 946.50 1037.24 62.08 o -2 2 -8 736.58 777.43 45.61 o 0 2 -8 1868.73 2116.38 109.19 o 2 2 -8 271.64 299.34 27.74 o 4 2 -8 1547.85 1779.55 70.62 o 6 2 -8 803.73 865.28 29.70 o 8 2 -8 300.68 355.82 41.36 o 10 2 -8 389.73 408.88 41.77 o -7 3 -8 247.31 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