#------------------------------------------------------------------------------ #$Date: 2019-06-12 07:25:17 +0300 (Wed, 12 Jun 2019) $ #$Revision: 215867 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021665.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_2021665 _cell_angle_alpha 105.050 _cell_angle_beta 95.083 _cell_angle_gamma 115.081 _cell_length_a 8.5198 _cell_length_b 9.4709 _cell_length_c 13.9682 _exptl_crystal_F_000 568.00 _reflns_d_resolution_high 0.8103 _cod_data_source_file lg3239Compound_4sup5.hkl _cod_data_source_block Compound_4 _shelx_title ' 09gs01 = HgIPh = ac003gs2n in P-1, Mo, -173, 7/02/2009' _shelx_refln_list_code 4 _shelx_f_calc_maximum 237.70 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 1 0 0 1272.16 1253.13 21.15 o 2 0 0 13878.18 14120.53 138.00 o 3 0 0 11755.60 11528.58 130.77 o 4 0 0 1366.94 1386.68 41.73 o 5 0 0 6247.45 6277.34 97.38 o 6 0 0 1385.80 1432.31 62.88 o 7 0 0 2969.05 3067.72 121.86 o 8 0 0 1618.55 1767.29 122.98 o 9 0 0 132.00 81.24 85.14 o -9 1 0 2763.04 2663.18 158.59 o -8 1 0 495.60 359.47 62.88 o -7 1 0 494.80 595.96 55.09 o -6 1 0 3104.77 3227.98 84.02 o -5 1 0 203.76 288.24 23.93 o -4 1 0 6660.37 6903.90 91.26 o -3 1 0 1253.54 1211.40 23.93 o -2 1 0 3165.03 3516.78 37.84 o -1 1 0 23959.01 23100.00 175.84 o 0 1 0 901.38 772.91 16.69 o 1 1 0 25759.24 25894.50 262.65 o 2 1 0 32892.49 34175.62 371.71 o 3 1 0 1188.91 1085.08 45.07 o 4 1 0 15429.18 15632.41 224.81 o 5 1 0 1002.86 990.48 51.19 o 6 1 0 658.47 662.18 60.65 o 7 1 0 2334.25 2236.94 114.07 o 8 1 0 65.94 -26.15 65.66 o -9 2 0 15.78 1.11 59.54 o -8 2 0 2394.39 2454.51 104.06 o -7 2 0 4244.38 4299.71 109.06 o -6 2 0 513.73 508.60 37.84 o -5 2 0 4314.57 4257.42 66.77 o -4 2 0 2591.83 2572.48 42.85 o -3 2 0 259.37 225.36 12.80 o -2 2 0 3435.77 2978.69 34.50 o -1 2 0 194.24 166.38 10.57 o 0 2 0 23737.69 23374.33 254.86 o 1 2 0 21619.31 22766.13 259.86 o 2 2 0 661.37 755.11 36.17 o 3 2 0 17590.15 17950.59 268.77 o 4 2 0 1337.04 1307.11 66.22 o 5 2 0 4823.24 4815.54 130.77 o 6 2 0 2387.23 2303.71 97.38 o 7 2 0 53.02 2.23 54.53 o 8 2 0 1278.01 1196.93 128.54 o -10 3 0 32.77 22.81 70.11 o -9 3 0 3175.44 3299.21 138.00 o -8 3 0 3149.57 3326.47 114.07 o -7 3 0 2343.46 2428.36 66.22 o -6 3 0 10038.46 9847.53 130.21 o -5 3 0 257.49 250.96 23.37 o -4 3 0 4168.86 4124.42 58.43 o -3 3 0 5572.12 6130.99 72.90 o -2 3 0 1729.97 1850.20 30.60 o -1 3 0 6996.90 7616.72 91.26 o 0 3 0 2412.85 2428.91 54.53 o 1 3 0 8898.36 9416.84 146.35 o 2 3 0 7185.64 6850.48 138.56 o 3 3 0 708.63 747.87 55.65 o 4 3 0 6923.85 6890.55 158.59 o 5 3 0 2608.64 2765.01 136.33 o 6 3 0 39.42 -32.27 60.65 o 7 3 0 1620.10 1415.06 129.10 o -10 4 0 1406.55 1556.95 111.29 o -9 4 0 1463.25 1578.65 102.39 o -8 4 0 636.36 667.19 60.65 o -7 4 0 9288.86 9313.90 141.90 o -6 4 0 852.68 809.08 38.95 o -5 4 0 6620.00 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