#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:34:15 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180790 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/21/2012177.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_2012177_Fobs loop_ _publ_author_name 'Lansky, David E.' 'Zavalij, Peter Y.' 'Oliver, Scott R. J.' _publ_section_title ; A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~n~ ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1051 _journal_page_last 1052 _journal_volume 57 _journal_year 2001 _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 106.418 _cell_angle_gamma 90.000 _cell_length_a 4.8149 _cell_length_b 24.6603 _cell_length_c 6.9111 _exptl_crystal_F_000 520.00 _reflns_d_resolution_high 0.6779 _cod_data_source_file br1323Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title 'Sn(O3PC6H5) in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 203.69 _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 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40.54 o 1 19 -7 108.43 141.98 36.67 o 3 19 -7 3.64 12.78 25.03 o 0 20 -7 82.85 95.40 53.85 o 2 20 -7 368.58 385.15 42.88 o 4 20 -7 430.33 366.57 49.26 o -1 21 -7 792.56 831.70 88.24 o 1 21 -7 1204.52 1169.71 69.04 o 3 21 -7 196.86 204.51 39.29 o 0 22 -7 445.89 444.22 52.31 o 2 22 -7 1223.85 1339.33 146.21 o 4 22 -7 1260.88 1270.33 123.76 o 1 23 -7 1654.67 1518.18 80.03 o 3 23 -7 435.62 441.81 59.78 o 2 24 -7 1020.49 1101.30 110.44 o 1 25 -7 759.91 861.05 105.66 o 2 26 -7 308.70 437.55 81.26 o -4 0 -6 1018.96 918.41 93.60 o -2 0 -6 2770.08 2549.80 123.52 o 0 0 -6 11937.11 12880.06 125.20 o 2 0 -6 9968.21 9931.22 145.66 o 4 0 -6 3920.10 3727.83 170.58 o 6 0 -6 723.05 723.34 82.97 o -3 1 -6 2300.85 2290.97 62.13 o -1 1 -6 5853.33 5976.79 80.84 o 1 1 -6 3846.64 4098.10 66.20 o 3 1 -6 3840.01 3709.22 171.92 o 5 1 -6 3755.99 3696.96 130.96 o -4 2 -6 575.83 604.74 68.37 o -2 2 -6 1520.78 1540.00 45.80 o 0 2 -6 7149.06 7734.53 163.53 o 2 2 -6 5431.58 5670.84 122.77 o 4 2 -6 1552.29 1415.93 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