#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2010734.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_2010734_Fobs loop_ _publ_author_name 'K\"onig, Uwe-Christoph' 'Berkei, Michael' 'Neikes, Frank' 'Preut, Hans' 'Mitchell, Terence Nigel' _publ_section_title ; Complexes of dimethyltin dihalides with N-methylpyrrolidinone, C~12~H~24~N~2~O~2~X~2~Sn (X = Cl, Br or I) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 324 _journal_page_last 326 _journal_volume 56 _journal_year 2000 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 111.384 _cell_angle_gamma 90.000 _cell_length_a 7.8320 _cell_length_b 25.7030 _cell_length_c 8.9840 _exptl_crystal_F_000 840.00 _reflns_d_resolution_high 0.8204 _[local]_cod_data_source_file na1448Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ccd1034 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 231.74 _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+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 3359.01 3276.13 59.83 o 3 0 0 6715.04 6505.57 129.88 o 4 0 0 2902.98 2794.56 61.29 o 5 0 0 51.38 55.45 18.97 o 6 0 0 1398.88 1303.16 39.40 o 7 0 0 7469.08 7521.25 172.20 o 8 0 0 3322.99 3333.05 97.77 o 1 1 0 5452.42 4905.29 108.29 o 2 1 0 4.62 17.51 6.65 o 3 1 0 1931.59 1850.62 43.05 o 4 1 0 3231.96 3212.61 44.66 o 5 1 0 1247.56 1196.26 23.20 o 6 1 0 346.20 337.87 19.61 o 7 1 0 1101.35 1061.28 29.87 o 8 1 0 0.59 -1.98 32.97 o 1 2 0 2998.27 2907.66 39.21 o 2 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