#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108070.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_2108070 _cell_angle_alpha 86.394 _cell_angle_beta 89.775 _cell_angle_gamma 65.652 _cell_length_a 9.0047 _cell_length_b 10.2138 _cell_length_c 11.6756 _exptl_crystal_F_000 487.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file ps50561_235Ksup5.hkl _cod_data_source_block 1_235K _shelx_title ' BR2PY_235K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 188.42 _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 6357.00 7264.76 285.08 o 3 0 0 7319.68 7947.60 314.15 o 4 0 0 362.38 471.94 20.71 o 5 0 0 3402.41 3267.58 78.89 o 6 0 0 30.38 30.71 8.99 o 7 0 0 3.72 164.44 29.86 o 8 0 0 1.94 6.88 12.68 o 9 0 0 1024.42 1029.68 34.25 o 10 0 0 7.13 17.57 24.01 o -9 1 0 779.24 873.55 35.12 o -8 1 0 101.59 85.89 14.84 o -7 1 0 83.32 93.55 13.65 o -6 1 0 2433.03 2609.25 50.99 o -5 1 0 10.32 13.84 6.82 o -4 1 0 1555.45 1578.66 31.46 o -3 1 0 148.49 176.82 5.98 o -2 1 0 2666.80 2925.81 39.28 o -1 1 0 1529.91 1711.22 23.15 o 1 1 0 4579.42 -1.19 1.19 o 2 1 0 1924.61 2183.89 91.58 o 5 1 0 1328.63 1525.74 73.66 o 6 1 0 11.97 19.51 17.92 o 7 1 0 1338.88 1409.87 80.03 o 8 1 0 106.25 52.95 29.86 o 9 1 0 777.59 896.97 63.11 o 10 1 0 35.05 36.80 35.33 o -9 2 0 89.10 91.24 17.22 o -8 2 0 34.66 34.56 12.75 o -7 2 0 57.24 70.70 10.68 o -6 2 0 458.48 463.59 17.66 o -5 2 0 1484.81 1411.75 25.72 o -4 2 0 176.67 227.60 12.23 o -3 2 0 551.02 572.79 10.21 o -2 2 0 2863.40 2830.36 40.89 o -1 2 0 686.14 712.42 12.76 o 0 2 0 11236.48 12532.77 173.43 o 1 2 0 1534.04 1549.63 42.09 o 2 2 0 4816.09 5112.94 148.09 o 3 2 0 7109.13 7204.25 208.90 o 4 2 0 582.58 628.69 35.04 o 5 2 0 3959.76 4331.14 183.55 o 6 2 0 1106.62 1120.81 59.33 o 7 2 0 25.10 40.87 19.91 o 8 2 0 634.67 684.43 58.93 o 9 2 0 90.45 119.85 37.82 o 10 2 0 13.69 19.11 41.01 o -8 3 0 427.58 451.72 28.28 o -7 3 0 0.38 10.38 12.44 o -6 3 0 2033.38 2138.95 37.95 o -5 3 0 376.11 450.59 13.93 o -4 3 0 1115.58 1131.36 20.09 o -3 3 0 1440.74 1496.12 21.96 o -2 3 0 407.80 364.28 9.02 o -1 3 0 2866.92 2892.47 42.42 o 0 3 0 6130.69 6693.15 93.95 o 1 3 0 1637.91 1623.81 24.09 o 2 3 0 290.28 278.34 12.11 o 3 3 0 14149.07 13977.89 401.62 o 4 3 0 4.43 0.00 7.88 o 5 3 0 92.32 58.93 16.32 o 6 3 0 879.11 798.70 47.38 o 7 3 0 669.88 662.53 46.58 o 9 3 0 198.46 204.25 41.41 o 10 3 0 420.30 575.34 64.90 o 11 3 0 79.23 80.43 44.59 o -8 4 0 22.02 62.41 21.22 o -7 4 0 124.92 128.59 12.89 o -6 4 0 375.46 365.77 14.32 o -5 4 0 1.12 -7.93 7.93 o -4 4 0 176.00 258.95 10.51 o -3 4 0 1007.88 1079.10 18.49 o -2 4 0 1121.41 1067.38 18.14 o -1 4 0 1005.19 1189.86 19.25 o 0 4 0 1356.93 1329.92 21.63 o 1 4 0 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