#------------------------------------------------------------------------------ #$Date: 2020-07-10 07:56:01 +0300 (Fri, 10 Jul 2020) $ #$Revision: 254171 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108621.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_2108621 _cell_angle_alpha 82.035 _cell_angle_beta 74.232 _cell_angle_gamma 79.373 _cell_length_a 10.1294 _cell_length_b 12.2011 _cell_length_c 14.2430 _exptl_crystal_F_000 837.40 _reflns_d_resolution_high 0.7689 _cod_data_source_file bm5124Isup2.hkl _cod_data_source_block I _shelx_title ' CHAHKAND4NEW_0m in P-1 BLUE PRISM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.66 _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 4498.01 4280.73 100.36 o 3 0 0 307.64 192.93 8.18 o 4 0 0 475.14 408.83 18.34 o 5 0 0 1612.39 1427.79 68.29 o 6 0 0 1742.51 1833.37 67.08 o 7 0 0 643.58 712.39 32.08 o 8 0 0 1.73 -7.84 7.84 o 9 0 0 115.28 122.26 23.36 o 10 0 0 23.86 8.39 17.88 o 11 0 0 589.23 587.22 60.95 o 12 0 0 16.82 4.01 20.07 o -12 1 0 42.56 50.03 10.51 o -11 1 0 105.40 96.71 27.37 o -10 1 0 4.32 16.06 17.88 o -9 1 0 794.10 739.05 62.41 o -8 1 0 468.42 435.03 44.53 o -7 1 0 458.63 403.05 23.19 o -6 1 0 548.89 544.52 33.48 o -5 1 0 33.39 29.32 8.23 o -4 1 0 10153.76 10151.97 336.61 o -3 1 0 729.16 600.87 16.79 o -2 1 0 14289.46 14681.10 418.60 o -1 1 0 4296.21 4058.13 99.86 o 2 1 0 4986.33 4620.41 94.69 o 3 1 0 3505.16 3344.37 86.78 o 4 1 0 292.15 277.78 11.01 o 5 1 0 491.16 453.77 20.88 o 6 1 0 374.09 370.66 31.62 o 7 1 0 320.06 353.40 23.11 o 8 1 0 28.13 31.49 10.34 o 9 1 0 865.27 801.86 44.76 o 10 1 0 65.75 50.36 20.07 o 11 1 0 40.72 38.32 21.53 o 12 1 0 4.57 40.88 25.91 o -12 2 0 169.10 175.18 36.13 o -11 2 0 77.74 72.07 11.78 o -10 2 0 0.53 -7.11 7.11 o -9 2 0 894.79 876.39 51.90 o -8 2 0 359.23 373.66 14.68 o -7 2 0 271.58 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