#------------------------------------------------------------------------------ #$Date: 2016-07-13 04:28:23 +0300 (Wed, 13 Jul 2016) $ #$Revision: 184420 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/17/2241764.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_2241764 _cell_angle_alpha 90.000 _cell_angle_beta 107.820 _cell_angle_gamma 90.000 _cell_length_a 11.0909 _cell_length_b 12.4571 _cell_length_c 12.5382 _exptl_crystal_F_000 980.00 _reflns_d_resolution_high 0.7710 _cod_data_source_file su5299IIsup4.hkl _cod_data_source_block II _shelx_title ' import in P 21/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 302.37 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 21.85 76.97 20.35 o 4 0 0 5716.34 5481.28 235.40 o 6 0 0 13738.87 13688.73 286.99 o 8 0 0 2027.72 1978.22 100.68 o 10 0 0 6519.08 6273.10 384.96 o 12 0 0 5400.46 5841.94 417.02 o 2 1 0 6487.77 6090.99 131.12 o 3 1 0 2307.92 2064.14 44.42 o 4 1 0 47688.67 44829.96 643.12 o 5 1 0 1416.46 1205.23 50.44 o 6 1 0 161.74 62.99 27.61 o 7 1 0 6666.10 6587.15 137.00 o 8 1 0 7966.43 8098.06 244.95 o 9 1 0 687.29 648.43 104.86 o 10 1 0 4.22 46.56 87.16 o 11 1 0 68.04 -35.93 86.90 o 12 1 0 11.75 168.78 121.90 o 13 1 0 36.84 -19.74 135.32 o 0 2 0 4849.57 2900.24 985.90 o 1 2 0 777.08 753.52 118.85 o 2 2 0 9325.46 9193.91 309.97 o 3 2 0 392.42 330.93 28.53 o 4 2 0 239.84 229.60 24.65 o 5 2 0 102.91 118.85 25.28 o 6 2 0 10225.06 9916.69 177.83 o 7 2 0 1296.13 1328.92 62.64 o 8 2 0 3649.86 3649.88 182.35 o 9 2 0 316.73 374.17 56.28 o 10 2 0 2.47 124.04 483.65 o 11 2 0 95.67 38.32 76.71 o 12 2 0 437.54 188.80 153.69 o 13 2 0 3.23 144.17 151.68 o 1 3 0 22658.16 22000.90 2149.64 o 2 3 0 65129.95 63794.79 2753.17 o 3 3 0 4191.34 4266.81 198.23 o 4 3 0 16160.70 15987.35 293.00 o 5 3 0 376.68 326.88 38.30 o 6 3 0 231.92 275.93 49.79 o 7 3 0 468.65 452.43 45.17 o 8 3 0 8781.07 8833.26 226.83 o 9 3 0 312.26 288.39 62.08 o 10 3 0 2409.43 2354.36 124.96 o 11 3 0 1720.99 1762.91 139.35 o 12 3 0 759.89 593.51 124.45 o 13 3 0 261.04 198.08 268.42 o 0 4 0 29086.00 29464.79 1298.73 o 1 4 0 3906.09 3420.83 525.94 o 2 4 0 2463.85 2166.92 152.37 o 3 4 0 8176.16 8187.65 282.74 o 4 4 0 14643.36 14879.62 576.95 o 5 4 0 4618.26 4581.27 142.67 o 6 4 0 4215.93 4236.55 125.92 o 7 4 0 0.06 6.34 38.72 o 8 4 0 7348.00 7636.61 208.28 o 9 4 0 1122.86 1114.87 113.51 o 10 4 0 2685.14 2724.58 146.99 o 11 4 0 382.12 575.64 119.31 o 12 4 0 364.09 408.81 129.46 o 13 4 0 1.44 53.15 239.20 o 1 5 0 596.18 568.60 33.46 o 2 5 0 196.70 178.69 42.97 o 3 5 0 1.81 23.60 20.89 o 4 5 0 741.75 734.35 53.86 o 5 5 0 4958.65 4946.45 202.38 o 6 5 0 561.88 490.90 64.94 o 7 5 0 6910.88 7060.90 286.63 o 8 5 0 1018.53 1132.10 84.43 o 9 5 0 151.54 90.17 65.49 o 10 5 0 134.37 210.54 80.79 o 11 5 0 844.96 821.14 115.14 o 12 5 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