#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/40/2204049.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_2204049_Fobs loop_ _publ_author_name Sadiq-ur-Rehman 'Abdelrahman, Doaa' 'Ali, Saqib' 'Badshah, Amin' 'Parvez, Masood' _publ_section_title ; catena-Poly[[trimethyltin(IV)]-\m-2-(4-chlorophenyl)-3-(4-methoxyphenyl)propenoato-\k^2^O:O'] ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1076 _journal_page_last m1078 _journal_volume 60 _journal_year 2004 _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 101.118 _cell_angle_gamma 90.000 _cell_length_a 9.5120 _cell_length_b 10.4240 _cell_length_c 19.4210 _exptl_crystal_F_000 904.00 _reflns_d_resolution_high 0.7700 _[local]_cod_data_source_file lh6235Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Compound X' _shelx_refln_list_code 4 _shelx_f_calc_maximum 244.88 _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 7412.28 7022.65 237.19 o 3 0 0 8644.57 7737.34 212.26 o 4 0 0 20018.44 18433.88 621.38 o 5 0 0 3168.74 2841.12 79.81 o 6 0 0 4373.04 4294.75 147.34 o 7 0 0 6096.03 6289.60 184.73 o 8 0 0 940.53 994.83 47.27 o 9 0 0 529.95 497.41 38.96 o 10 0 0 1423.66 1316.51 126.73 o 11 0 0 326.08 415.69 88.30 o 12 0 0 52.06 20.95 73.06 o 2 1 0 7.70 37.09 9.52 o 3 1 0 1457.51 1530.61 31.05 o 4 1 0 7944.27 8237.33 302.81 o 5 1 0 4155.00 4179.67 137.38 o 6 1 0 1893.07 1961.08 55.58 o 7 1 0 1457.85 1418.44 35.43 o 8 1 0 3288.95 3273.80 100.83 o 9 1 0 2706.81 2781.78 94.82 o 10 1 0 883.53 838.63 58.36 o 11 1 0 1080.64 1075.83 83.88 o 12 1 0 868.22 760.94 91.40 o 0 2 0 316.07 248.79 11.58 o 2 2 0 7955.18 7247.55 168.50 o 3 2 0 18624.90 17479.70 465.90 o 4 2 0 9946.41 9380.23 178.88 o 5 2 0 11615.33 11541.20 201.58 o 6 2 0 8331.25 8180.00 160.91 o 7 2 0 3292.65 3519.49 108.21 o 8 2 0 2001.76 2085.23 56.21 o 9 2 0 846.86 903.80 59.90 o 10 2 0 346.36 393.84 46.66 o 11 2 0 202.97 197.40 54.64 o 1 3 0 5760.57 6127.64 126.79 o 2 3 0 298.11 373.36 10.72 o 3 3 0 5086.41 5028.79 98.19 o 4 3 0 50.83 39.59 9.24 o 5 3 0 1695.80 1752.29 41.64 o 6 3 0 3835.42 3742.66 112.71 o 7 3 0 3456.67 3565.38 89.16 o 8 3 0 1656.79 1730.56 58.13 o 9 3 0 1552.83 1587.44 60.91 o 10 3 0 1706.11 1741.34 154.69 o 11 3 0 97.27 92.48 42.33 o 0 4 0 1935.73 1813.47 61.27 o 1 4 0 2475.73 2248.67 52.80 o 2 4 0 11444.09 10894.03 219.10 o 3 4 0 1823.50 1741.38 34.65 o 4 4 0 5017.12 5581.60 442.18 o 5 4 0 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