#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/76/2207674.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_2207674_Fobs loop_ _publ_author_name 'Ng, Seik Weng' _publ_section_title ; Rerefinement of catena-poly[triethylammonium [triphenylstannate(IV)-\m-2,5-thiophenedicarboxylato]] in the space group Pc ; _journal_coeditor_code TK6281 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2512 _journal_page_last m2513 _journal_volume 61 _journal_year 2005 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 119.690 _cell_angle_gamma 90.000 _cell_length_a 18.3540 _cell_length_b 9.6580 _cell_length_c 18.9820 _exptl_crystal_F_000 1272.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file tk6281Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Pc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 279.41 _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' 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 1 -21 14.09 124.50 155.33 o 5 1 -21 22.07 291.74 118.78 o 4 2 -21 128.49 190.67 63.60 o 5 2 -21 127.03 172.94 103.17 o 6 2 -21 254.44 187.50 126.49 o 6 3 -21 245.91 326.10 71.42 o 7 3 -21 483.45 348.29 175.67 o 8 3 -21 178.95 198.47 70.63 o 9 3 -21 332.99 237.08 76.43 o 8 4 -21 501.88 528.58 212.33 o 9 4 -21 9.00 13.03 63.16 o 10 4 -21 472.71 411.24 87.40 o 11 4 -21 28.63 28.05 69.84 o 12 4 -21 553.11 526.21 97.96 o 1 0 -20 535.33 785.85 119.34 o 2 1 -20 457.78 609.39 106.15 o 3 1 -20 897.35 1182.39 194.81 o 4 1 -20 670.32 23.44 93.12 o 2 2 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1485.66 157.47 o -10 0 20 327.24 293.18 83.19 o -9 0 20 1248.78 1298.87 145.87 o -8 0 20 41.07 -6.12 60.14 o -7 0 20 1156.90 1170.24 136.26 o -6 0 20 562.83 588.65 104.80 o -5 0 20 1550.61 1889.83 176.06 o -18 1 20 216.11 225.42 66.69 o -17 1 20 171.98 319.25 70.25 o -16 1 20 242.89 189.56 62.11 o -15 1 20 193.35 214.09 59.16 o -14 1 20 919.44 904.87 92.06 o -13 1 20 88.96 175.37 55.44 o -12 1 20 1196.60 1231.70 159.90 o -11 1 20 4.16 -30.24 43.86 o -10 1 20 1210.95 1096.90 133.72 o -9 1 20 190.09 142.56 52.99 o -8 1 20 1441.21 1276.59 101.92 o -7 1 20 176.83 121.99 51.14 o -6 1 20 1169.52 1152.60 97.27 o -5 1 20 642.91 633.62 110.36 o -17 2 20 259.60 326.49 73.17 o -16 2 20 22.58 69.04 55.86 o -15 2 20 362.56 501.51 78.40 o -14 2 20 364.67 345.44 68.12 o -13 2 20 833.45 827.80 87.57 o -12 2 20 26.65 -2.42 45.84 o -11 2 20 934.85 1009.41 95.00 o -10 2 20 58.44 1.95 58.67 o -9 2 20 690.86 509.91 72.00 o -8 2 20 207.71 146.15 53.47 o -7 2 20 1153.77 1181.68 145.95 o -6 2 20 51.56 107.34 80.25 o -5 2 20 306.50 334.57 91.69 o -16 3 20 358.03 459.56 78.96 o -15 3 20 99.67 71.30 53.19 o -14 3 20 304.06 227.50 84.14 o -13 3 20 48.31 40.97 51.98 o -12 3 20 507.31 594.06 78.93 o -11 3 20 123.93 150.59 56.25 o -10 3 20 255.85 154.20 58.08 o -9 3 20 87.59 43.24 49.59 o -8 3 20 507.92 382.00 97.80 o -7 3 20 87.17 150.56 78.10 o -6 3 20 402.04 363.09 94.31 o -15 4 20 29.09 38.06 67.69 o -14 4 20 33.14 -7.10 52.35 o -13 4 20 183.49 233.09 108.01 o -12 4 20 20.26 19.21 52.96 o -11 4 20 118.29 228.83 64.26 o -10 4 20 17.96 27.41 70.00 o -9 4 20 419.81 358.88 94.47 o -8 4 20 8.60 43.14 84.62 o -12 5 20 39.97 -98.12 69.20 o -11 5 20 68.12 123.71 78.90 o -10 5 20 83.77 7.15 77.94 o -9 5 20 21.53 -34.80 72.06 o -16 1 21 45.82 66.99 106.35 o -15 1 21 67.44 41.98 53.83 o -14 1 21 56.34 82.82 59.27 o -13 1 21 79.50 61.79 53.01 o -12 1 21 0.50 48.13 48.83 o -11 1 21 10.87 -40.32 47.98 o -10 1 21 19.69 -13.15 47.97 o -9 1 21 224.30 161.90 56.40 o -8 1 21 198.77 229.56 57.84 o -7 1 21 242.34 200.07 62.89 o -6 1 21 26.67 -7.39 68.73 o -5 1 21 21.96 11.60 79.45 o -16 2 21 172.74 266.38 69.02 o -15 2 21 62.53 48.26 55.86 o -14 2 21 131.44 122.75 56.72 o -13 2 21 51.07 43.54 50.04 o -12 2 21 347.80 371.14 69.00 o -11 2 21 143.71 202.58 60.42 o -10 2 21 240.88 281.87 62.13 o -9 2 21 207.42 187.13 67.85 o -8 2 21 368.05 323.53 93.51 o -7 2 21 29.48 104.32 80.64 o -6 2 21 262.23 209.51 89.78 o -14 3 21 44.87 10.02 50.54 o -13 3 21 490.20 418.07 72.55 o -12 3 21 91.83 152.80 57.00 o -11 3 21 307.26 300.10 67.52 o -10 3 21 35.70 54.90 78.90 o -9 3 21 321.61 260.28 95.58 o -8 3 21 193.22 127.36 77.86 o -7 3 21 515.19 376.04 102.89 o -12 4 21 584.58 492.76 114.57 o -11 4 21 32.09 -46.40 69.76 o -10 4 21 457.80 453.27 112.58 o -9 4 21 5.95 16.13 79.05 o -8 4 21 509.48 539.00 114.17 o -14 0 22 212.13 126.49 85.81 o -13 0 22 487.01 407.35 103.13 o -12 0 22 19.22 30.83 77.86 o -10 0 22 189.85 88.67 74.21 o -9 0 22 970.76 848.54 130.94 o -8 0 22 113.01 157.23 86.76 o -7 0 22 1400.12 1267.25 153.42 o -14 1 22 556.99 572.70 82.34 o -13 1 22 41.89 18.42 52.67 o -12 1 22 1041.28 1015.82 100.04 o -11 1 22 120.56 76.72 55.05 o -10 1 22 726.46 670.15 108.33 o -9 1 22 10.52 38.07 53.24 o -8 1 22 870.68 742.59 88.91 o -7 1 22 40.16 30.43 77.78 o -13 2 22 545.17 499.46 78.64 o -12 2 22 33.98 -6.01 51.91 o -11 2 22 376.79 454.96 74.57 o -10 2 22 41.71 -9.91 64.55 o -9 2 22 585.24 477.98 114.97 o -8 2 22 1.19 -64.36 73.97 o