#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217327.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_2217327_Fobs loop_ _publ_author_name 'Liu, Chun-Sen' 'Yan, Li-Fen' 'Chang, Ze' 'Wang, Jun-Jie' _publ_section_title ; Tetrakis(\m-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)] ; _journal_coeditor_code SU2026 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m15 _journal_page_last m16 _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 113.036 _cell_angle_beta 103.257 _cell_angle_gamma 102.913 _cell_length_a 12.1038 _cell_length_b 13.4887 _cell_length_c 15.4568 _exptl_crystal_F_000 968.00 _reflns_d_resolution_high 0.8406 _[local]_cod_data_source_file su2026Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 111 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 329.08 _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 5620.73 6606.51 206.90 o 2 0 0 581.49 650.37 14.90 o 3 0 0 741.84 819.98 17.43 o 4 0 0 4049.92 4547.65 86.86 o 5 0 0 6748.54 7332.21 133.03 o 6 0 0 4453.17 4737.23 90.17 o 7 0 0 258.00 267.00 8.65 o 8 0 0 2096.13 2021.96 50.05 o 9 0 0 4072.86 3961.42 134.77 o 10 0 0 44.92 35.82 12.12 o 11 0 0 181.43 175.01 28.71 o 12 0 0 971.82 955.72 39.94 o 13 0 0 35.88 23.57 17.61 o -13 1 0 30.69 24.72 15.98 o -12 1 0 577.37 573.14 27.36 o -11 1 0 2412.22 2303.47 80.72 o -10 1 0 1070.12 1001.73 38.72 o -9 1 0 899.75 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39.10 o 9 7 0 271.17 303.69 26.82 o -13 8 0 37.06 27.22 22.81 o -12 8 0 953.52 1041.48 127.36 o -11 8 0 691.01 752.52 71.91 o -10 8 0 433.44 404.02 22.60 o -9 8 0 1226.79 1358.40 53.34 o -8 8 0 1709.49 1751.95 65.67 o -7 8 0 353.60 363.68 15.93 o -6 8 0 3452.68 3534.52 129.23 o -5 8 0 1125.88 1169.66 67.24 o -4 8 0 1320.02 1314.47 39.95 o -3 8 0 5335.20 5321.09 187.30 o -2 8 0 486.90 461.68 20.43 o -1 8 0 1459.98 1352.00 35.62 o 0 8 0 2664.73 2570.86 58.47 o 1 8 0 0.04 -2.60 5.41 o 2 8 0 1559.74 1546.15 37.05 o 3 8 0 887.40 861.53 23.91 o 4 8 0 4.97 6.22 8.56 o 5 8 0 1164.53 1217.15 33.01 o 6 8 0 927.55 1007.79 36.66 o 7 8 0 213.98 172.96 19.48 o 8 8 0 1667.71 1594.75 62.07 o -13 9 0 442.67 449.36 42.43 o -12 9 0 1078.10 1065.57 72.97 o -11 9 0 199.04 230.31 27.91 o -10 9 0 1245.36 1352.55 67.15 o -9 9 0 1548.57 1495.53 72.09 o -8 9 0 7.43 7.04 13.02 o -7 9 0 731.99 738.42 31.96 o -6 9 0 1844.10 1868.97 60.73 o -5 9 0 0.03 -4.73 8.13 o -4 9 0 3289.64 3239.57 104.58 o -3 9 0 4165.45 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