#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:24:05 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180860 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/91/2019129.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_2019129_Fobs loop_ _publ_author_name 'Titi, Hatem M.' 'Patra, Ranjan' 'Goldberg, Israel' _publ_section_title ; Intermolecular iodine--iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) ; _journal_coeditor_code FG3302 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1013 _journal_page_last 1016 _journal_volume 69 _journal_year 2013 _cell_angle_alpha 90.000 _cell_angle_beta 98.742 _cell_angle_gamma 90.000 _cell_length_a 14.0712 _cell_length_b 17.2283 _cell_length_c 11.3198 _exptl_crystal_F_000 1408.00 _reflns_d_resolution_high 0.7471 _cod_data_source_file fg3302IIsup3.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' mo_ti39b_0ma in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 427.14 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 2 0 0 9182.49 9116.83 231.03 o 3 0 0 435.96 642.57 17.48 o 4 0 0 15659.98 17277.94 193.87 o 5 0 0 15442.53 14987.33 191.00 o 6 0 0 147647.28 144798.72 1457.61 o 7 0 0 7232.65 6370.41 114.96 o 8 0 0 35670.94 38400.00 458.54 o 9 0 0 211.73 110.61 30.29 o 10 0 0 6195.70 6246.02 162.23 o 11 0 0 727.99 534.64 64.64 o 12 0 0 36729.96 35855.68 1123.97 o 13 0 0 18083.27 17942.50 465.61 o 14 0 0 8192.71 8329.82 434.11 o 15 0 0 102.72 386.83 167.63 o 16 0 0 2481.70 2333.90 285.83 o 17 0 0 129.62 275.08 141.84 o 18 0 0 4772.71 5525.27 421.22 o 1 1 0 1398.71 1314.67 13.36 o 2 1 0 149.83 186.81 7.11 o 3 1 0 1443.39 1708.23 21.84 o 4 1 0 165.04 101.56 10.96 o 5 1 0 1127.13 1269.16 30.61 o 6 1 0 2855.89 2808.13 44.75 o 7 1 0 3110.28 3304.56 50.15 o 8 1 0 3215.21 3213.69 61.66 o 9 1 0 2380.65 2542.93 58.92 o 10 1 0 2665.79 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