#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012597.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_2012597_Fobs loop_ _publ_author_name 'Yoon, Il' 'Shin, Yong Woon' 'Kim, Jineun' 'Park, Ki-Min' 'Park, Sung Bae' 'Lee, Shim Sung' _publ_section_title ; A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-\k^4^N}silver(I) perchlorate ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m165 _journal_page_last m166 _journal_volume 58 _journal_year 2002 _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 110.906 _cell_angle_gamma 90.000 _cell_length_a 16.0287 _cell_length_b 9.6132 _cell_length_c 20.2697 _exptl_crystal_F_000 1288.00 _reflns_d_resolution_high 0.7496 _[local]_cod_data_source_file ob1051Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' yyy in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 268.48 _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 _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 8 0 -26 42.36 61.56 28.53 o 10 0 -26 33.95 24.55 17.80 o 12 0 -26 42.63 32.74 18.68 o 7 1 -26 1.41 -22.69 22.69 o 9 1 -26 1.61 -3.11 15.84 o 11 1 -26 0.74 -11.26 12.64 o 6 2 -26 47.11 95.72 26.29 o 8 2 -26 43.97 25.19 18.81 o 10 2 -26 23.50 21.50 18.72 o 7 3 -26 1.02 -24.94 24.94 o 9 3 -26 0.55 9.66 19.21 o 5 1 -25 37.34 9.03 17.44 o 7 1 -25 29.86 28.55 13.82 o 9 1 -25 83.95 88.48 14.63 o 11 1 -25 92.75 88.09 12.48 o 13 1 -25 58.10 47.44 17.14 o 4 2 -25 0.45 17.75 25.39 o 6 2 -25 1.33 -1.88 14.15 o 8 2 -25 4.52 -13.19 14.17 o 10 2 -25 4.98 -12.91 16.50 o 12 2 -25 1.47 -0.25 25.95 o 5 3 -25 37.20 42.02 26.29 o 7 3 -25 25.40 31.94 17.82 o 9 3 -25 51.51 75.66 15.42 o 11 3 -25 73.86 86.16 18.20 o 13 3 -25 38.87 31.72 18.04 o 8 4 -25 0.92 -1.52 22.58 o 10 4 -25 2.21 8.31 23.14 o 2 0 -24 24.03 2.47 25.61 o 4 0 -24 14.57 14.16 23.82 o 6 0 -24 71.09 109.20 24.94 o 8 0 -24 156.66 177.73 27.19 o 10 0 -24 68.23 78.03 16.15 o 12 0 -24 45.55 28.14 29.66 o 14 0 -24 73.57 82.46 24.49 o 1 1 -24 0.96 16.38 17.86 o 3 1 -24 0.61 2.20 16.28 o 5 1 -24 0.03 -10.63 19.21 o 7 1 -24 0.24 1.96 12.68 o 9 1 -24 2.69 13.23 21.40 o 11 1 -24 5.01 17.03 10.95 o 13 1 -24 6.86 2.18 15.24 o 15 1 -24 4.56 -3.75 15.49 o 2 2 -24 32.87 47.87 18.32 o 4 2 -24 21.18 43.56 13.81 o 6 2 -24 84.61 83.62 14.21 o 8 2 -24 118.35 143.17 21.70 o 10 2 -24 63.97 39.56 13.90 o 12 2 -24 61.23 68.24 17.05 o 14 2 -24 118.96 146.49 26.74 o 3 3 -24 0.08 8.82 17.35 o 5 3 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