#------------------------------------------------------------------------------ #$Date: 2021-07-28 08:23:42 +0300 (Wed, 28 Jul 2021) $ #$Revision: 267783 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108849.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_2108849 _cell_angle_alpha 90.000 _cell_angle_beta 113.102 _cell_angle_gamma 90.000 _cell_length_a 12.7973 _cell_length_b 8.2623 _cell_length_c 15.4666 _exptl_crystal_F_000 1152.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file lo5092123TBB_100Ksup4.hkl _cod_data_source_block 123TBB_100K _shelx_title ' 123TBB_100K in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 529.23 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, 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 2 0 0 20663.33 20184.98 169.92 o 3 0 0 23612.68 24734.04 436.50 o 4 0 0 83.47 150.59 28.60 o 5 0 0 3318.02 3220.18 92.56 o 6 0 0 8529.46 8483.75 190.84 o 7 0 0 320.10 341.00 53.29 o 8 0 0 13155.57 12503.60 263.73 o 9 0 0 12608.14 12533.20 279.38 o 10 0 0 432.30 465.94 71.77 o 11 0 0 12093.11 12602.30 525.49 o 12 0 0 5225.30 5082.57 369.73 o 13 0 0 10145.94 10373.72 539.78 o 14 0 0 1181.16 1453.94 239.16 o 1 1 0 8443.48 9486.16 103.33 o 2 1 0 13310.41 13422.60 133.08 o 3 1 0 10387.58 10409.95 130.10 o 4 1 0 7488.16 7381.17 106.00 o 5 1 0 8629.42 8619.96 138.68 o 6 1 0 33140.02 33628.07 653.84 o 7 1 0 6535.03 6840.20 129.65 o 8 1 0 2945.59 2932.80 93.24 o 9 1 0 858.10 825.09 61.25 o 10 1 0 2825.71 2883.10 103.97 o 11 1 0 2998.82 3235.27 190.02 o 12 1 0 1915.05 2121.41 191.33 o 13 1 0 6962.17 7400.99 349.41 o 14 1 0 52.82 287.84 138.41 o 0 2 0 7397.47 7068.05 221.91 o 1 2 0 374.09 508.98 39.71 o 2 2 0 187245.50 181493.17 1903.70 o 3 2 0 18971.64 18369.86 265.26 o 4 2 0 5040.69 4686.29 102.12 o 5 2 0 7491.44 7507.85 130.46 o 6 2 0 13820.55 13484.18 184.54 o 7 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