#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/27/2012720.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_2012720_Fobs loop_ _publ_author_name 'Hill, Nicholas J.' 'Leung, Lai-Shi' 'Levason, William' 'Webster, Michael' _publ_section_title ; Tetraaquatetrakis(trimethylphosphine oxide-\kO)cerium(III) trichloride trihydrate ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m295 _journal_page_last m296 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.406 _cell_angle_beta 82.483 _cell_angle_gamma 74.161 _cell_length_a 10.2753 _cell_length_b 11.1003 _cell_length_c 15.6822 _exptl_crystal_F_000 758.00 _reflns_d_resolution_high 0.8411 _[local]_cod_data_source_file sk1541Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 02njh003' _shelx_refln_list_code 4 _shelx_f_calc_maximum 232.04 _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' loop_ _refln_index_h 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627.67 595.61 23.44 o 7 5 0 2982.42 2963.70 105.27 o 8 5 0 5462.39 5539.43 158.97 o 9 5 0 234.19 216.47 30.63 o 10 5 0 2377.86 2488.94 196.70 o 11 5 0 3281.11 3853.70 278.01 o -8 6 0 1241.19 1236.38 82.65 o -7 6 0 369.98 383.75 39.60 o -6 6 0 21.24 22.63 14.65 o -5 6 0 1949.60 1977.08 68.86 o -4 6 0 4389.86 4464.04 133.46 o -3 6 0 875.33 816.96 34.71 o -2 6 0 3034.34 3169.51 99.30 o -1 6 0 4051.05 3958.59 145.34 o 0 6 0 246.25 295.04 26.50 o 1 6 0 463.03 507.94 42.11 o 2 6 0 9220.58 9042.15 229.47 o 3 6 0 807.71 804.83 33.67 o 4 6 0 2663.20 2670.18 61.61 o 5 6 0 1493.41 1479.01 39.21 o 6 6 0 395.75 432.11 32.25 o 7 6 0 1134.41 1097.01 36.90 o 8 6 0 2988.85 2984.81 87.42 o 9 6 0 148.00 178.29 15.96 o 10 6 0 1822.27 1799.00 165.79 o 11 6 0 1922.26 1894.37 115.16 o -8 7 0 392.00 391.86 78.39 o -7 7 0 614.92 604.78 55.83 o -6 7 0 2601.31 2534.80 134.38 o -5 7 0 412.55 392.66 38.15 o -4 7 0 3018.06 3059.74 148.11 o -3 7 0 1058.78 1110.16 45.60 o -2 7 0 2142.32 2143.26 80.54 o -1 7 0 117.23 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