#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/06/2010666.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_2010666_Fobs loop_ _publ_author_name 'K\"onig, Uwe-Christoph' 'Berkei, Michael' 'Neikes, Frank' 'Preut, Hans' 'Mitchell, Terence Nigel' _publ_section_title ; A 1:1 adduct between dimethyltin dibromide and N-methylpyrrolidinone (NMP) ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first e53 _journal_page_last e54 _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 93.360 _cell_angle_gamma 90.000 _cell_length_a 10.6520 _cell_length_b 7.0020 _cell_length_c 16.4270 _exptl_crystal_F_000 768.00 _reflns_d_resolution_high 0.7797 _[local]_cod_data_source_file qa0215Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1049 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 297.55 _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 25124.83 22560.76 852.92 o 3 0 0 555.18 573.52 36.42 o 4 0 0 10662.76 9352.41 224.58 o 5 0 0 8905.23 7926.51 195.77 o 6 0 0 42.71 46.60 13.13 o 7 0 0 27521.49 26638.19 1094.98 o 8 0 0 6149.66 5765.07 175.75 o 9 0 0 4787.43 4647.79 156.61 o 10 0 0 1355.05 1386.29 84.53 o 11 0 0 11434.85 11872.18 692.51 o 12 0 0 150.53 139.39 40.13 o 13 0 0 294.36 208.47 64.36 o 1 1 0 36069.16 37563.05 758.84 o 2 1 0 29827.67 30005.34 596.79 o 3 1 0 2563.46 2505.88 50.40 o 4 1 0 6303.32 5890.96 119.35 o 5 1 0 10.50 29.27 7.07 o 6 1 0 9242.80 8865.05 164.09 o 7 1 0 5737.44 5625.29 111.68 o 8 1 0 287.61 272.96 11.77 o 9 1 0 10678.78 11016.85 379.27 o 10 1 0 5570.16 5664.99 243.83 o 11 1 0 97.83 145.29 26.51 o 12 1 0 1503.91 1501.72 92.76 o 13 1 0 70.93 106.32 59.46 o 0 2 0 1646.62 1753.02 70.20 o 1 2 0 17044.16 17867.40 247.90 o 2 2 0 9783.56 9967.56 161.09 o 3 2 0 51187.73 53004.58 901.53 o 4 2 0 9602.50 9452.45 196.46 o 5 2 0 6924.46 6614.60 121.11 o 6 2 0 4006.98 3910.33 85.05 o 7 2 0 494.01 512.46 23.70 o 8 2 0 20223.90 20477.72 440.97 o 9 2 0 29.25 48.56 17.63 o 10 2 0 4421.29 4545.33 198.39 o 11 2 0 58.15 94.39 23.50 o 12 2 0 338.40 312.74 37.24 o 13 2 0 2150.41 1876.81 207.29 o 1 3 0 3844.91 3834.51 50.88 o 2 3 0 4147.01 4455.12 79.60 o 3 3 0 18418.33 18912.63 313.83 o 4 3 0 36492.11 37259.20 685.87 o 5 3 0 4683.40 4634.41 109.86 o 6 3 0 2147.00 2070.65 77.49 o 7 3 0 9944.90 9876.72 235.28 o 8 3 0 338.29 351.53 16.06 o 9 3 0 1720.70 1799.18 86.65 o 10 3 0 10.88 16.90 21.89 o 11 3 0 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