#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211907.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_2211907_Fobs loop_ _publ_author_name 'Hanif, Muhammad' 'Ali, Saqib' 'Hussain, Mukhtiar' 'Bhatti, Hussain Moazam' 'Karmazin Brelot, Lydia' 'Stoeckli-Evans, Helen' _publ_section_title ; [2-(Butylamino)cyclopent-1-ene-1-carbodithioato]chlorodiphenyltin(IV) ; _journal_coeditor_code NG2173 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m143 _journal_page_last m145 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 106.457 _cell_angle_beta 104.555 _cell_angle_gamma 96.053 _cell_length_a 9.4881 _cell_length_b 11.0779 _cell_length_c 12.1896 _exptl_crystal_F_000 528.00 _reflns_d_resolution_high 0.8147 _[local]_cod_data_source_file ng2173Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' HKB STOE IPDS MEASUREMENT' _shelx_refln_list_code 4 _shelx_f_calc_maximum 115.24 _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 4 0 0 8119.63 8595.61 36.55 o 5 0 0 772.58 635.95 12.85 o 6 0 0 82.08 107.61 3.23 o 7 0 0 152.53 159.45 4.22 o 8 0 0 136.67 124.96 3.17 o 9 0 0 375.33 375.92 7.10 o 10 0 0 11.23 8.46 5.13 o 11 0 0 100.30 126.50 5.20 o -11 1 0 116.93 130.91 6.16 o -10 1 0 718.74 709.07 9.57 o -9 1 0 199.00 184.54 7.60 o -8 1 0 253.55 243.65 5.33 o -7 1 0 1263.08 1166.17 18.78 o -6 1 0 203.63 179.78 2.90 o -5 1 0 130.09 120.53 12.96 o -4 1 0 436.03 321.15 8.60 o -3 1 0 10.26 51.74 4.37 o 3 1 0 3690.97 3527.87 15.36 o 4 1 0 871.56 957.47 62.07 o 5 1 0 4304.08 4220.48 171.94 o 6 1 0 1061.05 926.18 47.38 o 7 1 0 9.66 8.15 3.36 o 8 1 0 124.41 131.94 3.63 o 9 1 0 135.01 141.25 6.89 o 10 1 0 92.34 84.40 5.49 o -11 2 0 430.33 450.87 19.30 o -10 2 0 6.74 11.54 6.70 o -9 2 0 892.87 848.49 30.53 o -8 2 0 1528.01 1530.17 36.75 o -7 2 0 7.28 10.35 3.52 o -6 2 0 2030.79 1834.05 38.33 o -5 2 0 2465.89 2255.50 36.20 o -4 2 0 632.49 661.48 9.84 o -3 2 0 1617.10 1870.56 18.42 o -2 2 0 3515.43 3406.27 17.94 o 2 2 0 2075.72 1931.57 72.43 o 5 2 0 358.87 285.54 4.21 o 6 2 0 997.01 1002.73 23.94 o 7 2 0 1472.51 1364.63 23.62 o 8 2 0 133.70 120.94 6.26 o 9 2 0 7.62 12.39 6.49 o 10 2 0 30.51 36.78 5.63 o -11 3 0 47.73 37.83 4.90 o -10 3 0 699.04 649.48 9.35 o -9 3 0 260.32 285.30 7.10 o -8 3 0 107.78 100.94 4.65 o -7 3 0 1351.64 1372.21 13.54 o -6 3 0 1205.85 1153.67 17.30 o -5 3 0 465.70 386.26 27.50 o -4 3 0 4269.85 4144.58 42.93 o -3 3 0 3726.82 3751.91 47.32 o -2 3 0 154.11 126.94 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