#------------------------------------------------------------------------------ #$Date: 2020-04-22 06:26:41 +0300 (Wed, 22 Apr 2020) $ #$Revision: 251010 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/33/2243367.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_2243367 _cell_angle_alpha 114.120 _cell_angle_beta 111.139 _cell_angle_gamma 96.537 _cell_length_a 9.8432 _cell_length_b 11.7441 _cell_length_c 12.3005 _exptl_crystal_F_000 456.00 _reflns_d_resolution_high 0.8384 _cod_data_source_file mw2158IIasup5.hkl _cod_data_source_block IIa _shelx_title ' bk2cg' _shelx_refln_list_code 4 _shelx_f_calc_maximum 76.36 _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 2 0 0 1013.28 916.42 17.59 o 3 0 0 500.24 492.73 9.65 o 4 0 0 220.62 252.33 5.72 o 5 0 0 52.57 61.78 2.22 o 6 0 0 34.42 31.29 1.64 o 7 0 0 40.46 40.44 2.17 o 8 0 0 45.67 45.73 2.23 o 9 0 0 5.44 5.67 0.95 o 10 0 0 3.62 0.90 1.88 o -10 1 0 0.16 -1.04 1.16 o -9 1 0 42.89 41.33 2.11 o -8 1 0 0.15 -0.63 1.42 o -7 1 0 21.95 20.24 1.56 o -6 1 0 35.79 37.00 1.72 o -5 1 0 183.95 200.80 4.26 o -4 1 0 1007.81 1006.36 21.32 o -3 1 0 964.24 899.16 24.54 o 1 1 0 73.16 34.51 1.99 o 2 1 0 20.70 20.23 0.71 o 3 1 0 923.28 877.88 21.00 o 4 1 0 264.32 275.02 6.60 o 5 1 0 2.56 3.87 0.72 o 6 1 0 1.19 1.81 0.98 o 7 1 0 49.20 39.26 2.16 o 8 1 0 3.41 4.58 1.08 o 9 1 0 0.00 0.09 0.92 o 10 1 0 12.62 13.38 1.55 o -10 2 0 2.06 0.96 0.86 o -9 2 0 1.22 0.05 0.85 o -8 2 0 5.35 5.79 1.05 o -7 2 0 57.21 57.91 2.36 o -6 2 0 61.01 75.15 1.97 o -5 2 0 120.16 130.66 3.68 o -4 2 0 8.14 5.74 0.77 o -3 2 0 1402.98 1351.91 31.78 o 0 2 0 63.52 60.45 2.83 o 1 2 0 669.76 600.33 14.26 o 2 2 0 197.08 172.09 3.86 o 3 2 0 47.43 46.23 1.22 o 4 2 0 346.19 360.00 7.24 o 5 2 0 291.72 308.69 7.07 o 6 2 0 19.04 21.80 1.54 o 7 2 0 2.22 0.03 0.97 o 8 2 0 3.30 0.21 0.90 o 9 2 0 4.70 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140.09 143.06 4.17 o 0 -7 1 56.76 62.42 2.29 o 1 -7 1 5.72 5.59 0.66 o 2 -7 1 63.78 50.79 1.98 o 3 -7 1 1.94 1.19 0.64 o 4 -7 1 8.65 9.52 1.65 o 5 -7 1 0.87 0.66 0.60 o 6 -7 1 9.09 9.81 0.87 o 7 -7 1 152.10 167.22 5.44 o 8 -7 1 5.19 6.11 0.85 o 9 -7 1 4.41 7.50 1.65 o 10 -7 1 0.64 -0.93 0.93 o -8 -6 1 6.34 5.63 1.31 o -7 -6 1 0.41 -0.81 0.81 o -6 -6 1 16.31 16.43 1.04 o -5 -6 1 7.89 7.47 0.98 o -4 -6 1 223.19 226.74 7.67 o -3 -6 1 192.26 212.59 5.16 o -2 -6 1 68.83 81.27 2.05 o -1 -6 1 1.83 2.75 0.90 o 0 -6 1 675.56 766.54 18.79 o 1 -6 1 218.62 251.39 6.28 o 2 -6 1 76.58 85.66 2.78 o 3 -6 1 509.81 526.25 19.73 o 4 -6 1 226.45 240.98 7.05 o 5 -6 1 25.63 25.85 1.36 o 6 -6 1 0.04 -0.13 0.56 o 7 -6 1 26.10 28.00 1.49 o 8 -6 1 0.76 5.21 1.44 o 9 -6 1 3.21 1.03 0.62 o 10 -6 1 19.01 30.21 2.50 o -8 -5 1 8.86 8.75 1.31 o -7 -5 1 11.16 13.35 1.55 o -6 -5 1 234.07 248.99 6.73 o -5 -5 1 334.18 366.17 9.33 o -4 -5 1 17.73 14.12 1.24 o -3 -5 1 134.11 136.98 3.74 o -2 -5 1 3.89 2.61 0.61 o -1 -5 1 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