#------------------------------------------------------------------------------ #$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $ #$Revision: 1024 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224933.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_2224933_Fobs loop_ _publ_author_name 'Mohamed, Musa E.' 'Chopra, Deepak' 'Venugopal, K. N.' 'Govender, Thavendran' 'Kruger, Hendrik G.' 'Maguire, Glenn E. M.' _publ_section_title ; Tetrakis-\m-L-alanine-\k^8^O:O'-bis[tetraaquaterbium(III)] hexaperchlorate ; _journal_coeditor_code CV2689 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m193 _journal_page_last m194 _journal_volume 66 _journal_year 2010 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 79.345 _cell_angle_beta 65.390 _cell_angle_gamma 67.658 _cell_length_a 10.7703 _cell_length_b 10.7766 _cell_length_c 11.3521 _exptl_crystal_F_000 696.00 _reflns_d_resolution_high 0.6685 _[local]_cod_data_source_file cv2689Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' MUSA2_100K_RED1 in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 254.99 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l 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4 13 2759.83 2761.84 65.03 o 2 4 13 58.57 35.12 16.68 o 3 4 13 3710.72 3689.75 68.38 o 4 4 13 48.57 37.72 15.33 o 5 4 13 1710.87 1590.15 36.57 o 6 4 13 390.03 445.65 31.55 o 7 4 13 274.29 249.92 26.27 o 8 4 13 1814.58 2056.55 61.86 o 9 4 13 8.00 14.96 20.11 o 10 4 13 3449.58 3641.81 83.95 o 11 4 13 15.45 -22.16 22.16 o 12 4 13 1994.55 2046.14 66.47 o 13 4 13 283.05 225.32 29.65 o -1 5 13 1529.49 1466.16 54.34 o 0 5 13 1388.28 1379.16 50.98 o 1 5 13 2190.26 2191.24 59.19 o 2 5 13 415.42 397.62 28.94 o 3 5 13 1549.35 1513.88 46.54 o 4 5 13 88.55 75.42 17.79 o 5 5 13 1145.38 1017.32 32.13 o 6 5 13 1223.40 1140.37 59.38 o 7 5 13 683.32 611.85 34.56 o 8 5 13 2150.22 2301.16 63.47 o 9 5 13 521.71 548.03 35.56 o 10 5 13 1356.30 1445.53 53.00 o 11 5 13 171.84 129.31 24.38 o 12 5 13 945.98 865.03 46.00 o 13 5 13 964.00 976.01 50.01 o 0 6 13 491.33 468.95 33.76 o 1 6 13 1308.17 1303.25 48.70 o 2 6 13 87.94 99.79 21.54 o 3 6 13 2653.17 2569.94 61.06 o 4 6 13 165.23 193.85 20.48 o 5 6 13 2614.26 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