#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:44:23 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199048 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108063.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_2108063 _cell_angle_alpha 90.000 _cell_angle_beta 107.878 _cell_angle_gamma 90.000 _cell_length_a 8.8638 _cell_length_b 11.1097 _cell_length_c 11.5441 _exptl_crystal_F_000 916.00 _reflns_d_resolution_high 0.7571 _cod_data_source_file bp5092compound_1sup2.hkl _cod_data_source_block compound_1 _shelx_title ' 81111_BIG_0m in P2(1) New: P21' _shelx_refln_list_code 4 _shelx_f_calc_maximum 376.04 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 -14 0 6652.19 7191.41 191.90 o 2 -14 0 7427.36 7333.90 208.95 o 3 -14 0 5635.66 5585.83 170.52 o 2 -13 0 2030.98 2040.41 108.57 o 3 -13 0 7367.55 7523.38 192.56 o 4 -13 0 6820.55 6815.91 200.90 o 5 -13 0 3951.96 3942.81 144.58 o 0 -12 0 27351.62 27702.08 985.77 o 1 -12 0 21493.21 22448.27 553.55 o 2 -12 0 12798.65 13108.47 325.58 o 3 -12 0 8721.63 8903.49 240.61 o 4 -12 0 4746.05 4448.05 156.70 o 5 -12 0 825.22 802.04 62.78 o 6 -12 0 1323.84 1254.22 80.60 o 1 -11 0 3951.98 3981.70 104.81 o 2 -11 0 6884.82 6960.31 207.54 o 3 -11 0 13867.37 14348.40 371.81 o 4 -11 0 11866.47 12055.17 312.09 o 5 -11 0 7761.15 7755.65 217.69 o 6 -11 0 5262.76 4930.56 166.43 o 7 -11 0 1483.16 1434.64 84.17 o 0 -10 0 39880.31 41657.99 1198.61 o 1 -10 0 32139.14 34589.32 704.16 o 2 -10 0 17168.25 18017.12 403.75 o 3 -10 0 7403.00 7799.42 201.82 o 4 -10 0 13071.59 13248.90 341.54 o 5 -10 0 7338.69 7133.07 194.69 o 6 -10 0 4095.06 4047.36 126.85 o 7 -10 0 2523.37 2264.54 106.49 o 8 -10 0 3384.99 2862.81 122.50 o 1 -9 0 4632.05 5103.82 114.79 o 2 -9 0 8333.82 8618.62 185.37 o 3 -9 0 3524.00 3633.48 100.45 o 4 -9 0 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