#------------------------------------------------------------------------------ #$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $ #$Revision: 1088 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225267.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_2225267_Fobs loop_ _publ_author_name 'Wardell, James L.' 'Wardell, Solange M. S. V.' 'Tiekink, Edward R. T.' 'de Lima, Geraldo M.' _publ_section_title ; Bis(2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium) tetrachloridodiphenylstannate(IV) ; _journal_coeditor_code HB5338 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m336 _journal_page_last m337 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.739 _cell_angle_beta 91.671 _cell_angle_gamma 97.622 _cell_length_a 8.5578 _cell_length_b 9.1479 _cell_length_c 15.9866 _exptl_crystal_F_000 590.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file hb5338Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 0912 R = New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 147.28 _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, 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0 1064.20 1019.30 73.73 o 5 7 0 669.12 663.08 63.79 o 6 7 0 184.24 317.70 64.40 o -7 8 0 173.42 329.09 68.85 o -6 8 0 671.89 764.67 68.85 o -5 8 0 184.64 297.08 39.90 o -3 8 0 1698.24 1927.67 111.04 o -2 8 0 1679.71 2018.60 290.93 o -1 8 0 27.13 35.53 13.32 o 0 8 0 890.33 913.28 37.03 o 2 8 0 1.28 266.50 84.39 o 3 8 0 72.41 -8.43 101.44 o 4 8 0 147.48 116.91 52.25 o 5 8 0 9.82 35.06 41.81 o -6 9 0 993.58 881.67 99.94 o -5 9 0 163.21 338.70 104.95 o -4 9 0 113.65 113.75 41.09 o -2 9 0 310.25 430.91 98.43 o -1 9 0 926.97 1075.15 99.39 o 0 9 0 1027.46 779.51 99.94 o 1 9 0 97.75 139.88 43.93 o 2 9 0 325.51 651.61 69.04 o 3 9 0 352.48 454.57 55.32 o -4 10 0 97.91 28.38 49.45 o -2 10 0 23.51 11.10 73.29 o -1 10 0 306.56 319.80 86.61 o 0 10 0 430.17 337.56 66.62 o 1 10 0 376.48 290.90 109.93 o -2 -10 1 115.53 533.00 97.72 o -1 -10 1 425.75 426.40 104.38 o 0 -10 1 2668.89 2665.59 103.92 o 1 -10 1 251.25 186.55 84.39 o 2 -10 1 23.57 -116.59 77.73 o 3 -10 1 449.11 412.21 167.67 o -4 -9 1 431.70 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