#------------------------------------------------------------------------------ #$Date: 2021-05-27 08:09:58 +0300 (Thu, 27 May 2021) $ #$Revision: 265535 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022381.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_2022381 _cell_angle_alpha 90.000 _cell_angle_beta 100.287 _cell_angle_gamma 90.000 _cell_length_a 11.6071 _cell_length_b 14.9512 _cell_length_c 15.0174 _exptl_crystal_F_000 1724.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file dg30162sup3.hkl _cod_data_source_block 2 _shelx_title ' CF solution in P21/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 629.35 _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 32781.23 27433.31 2178.14 o 4 0 0 4560.07 4249.97 289.49 o 6 0 0 995.61 1331.03 261.82 o 8 0 0 747.14 826.13 326.51 o 10 0 0 6126.03 6978.07 1064.31 o 12 0 0 1315.88 824.01 873.53 o 2 1 0 34524.11 42798.92 920.77 o 3 1 0 135888.48 142311.94 3447.90 o 4 1 0 36667.62 37139.87 972.41 o 5 1 0 15992.83 14146.10 423.00 o 6 1 0 24988.26 24340.55 680.13 o 7 1 0 10659.11 11895.50 424.67 o 8 1 0 547.67 274.66 208.65 o 9 1 0 1511.18 1395.27 276.12 o 10 1 0 899.73 563.43 382.03 o 11 1 0 26.64 48.41 512.47 o 12 1 0 234.20 0.41 578.84 o 13 1 0 941.89 122.24 632.42 o 1 2 0 39227.18 44297.43 2597.85 o 2 2 0 10542.04 11194.80 286.44 o 3 2 0 97127.92 99626.18 2547.92 o 4 2 0 32579.89 31698.37 822.97 o 5 2 0 1241.72 1808.78 237.05 o 6 2 0 145.49 112.00 147.60 o 7 2 0 15614.29 14620.91 488.42 o 8 2 0 4225.80 4436.71 414.34 o 9 2 0 16641.83 14708.88 825.32 o 10 2 0 56.87 71.69 407.11 o 11 2 0 151.29 16.83 387.49 o 12 2 0 382.21 176.51 575.16 o 13 2 0 31.06 0.81 679.43 o 1 3 0 26486.91 27236.47 597.68 o 2 3 0 27013.46 28167.34 803.37 o 3 3 0 25156.66 21174.62 524.92 o 4 3 0 54566.90 57064.52 1494.93 o 5 3 0 306.46 519.19 253.35 o 6 3 0 45155.52 47605.66 1683.67 o 7 3 0 1369.38 1874.58 337.02 o 8 3 0 53.37 58.91 311.96 o 9 3 0 284.54 208.37 363.89 o 10 3 0 326.67 503.10 419.99 o 11 3 0 2159.38 1353.49 506.12 o 12 3 0 644.85 609.80 631.60 o 13 3 0 984.50 1074.71 715.10 o 0 4 0 106405.95 103987.54 5114.93 o 1 4 0 26961.00 32583.18 1225.01 o 2 4 0 20959.82 17101.09 1013.31 o 3 4 0 12096.90 11796.83 521.33 o 4 4 0 2135.92 3015.18 313.39 o 5 4 0 6890.74 6123.96 301.41 o 6 4 0 9509.97 9928.85 414.66 o 7 4 0 7978.45 8102.24 542.42 o 8 4 0 804.63 1389.37 364.34 o 9 4 0 1764.44 2755.88 809.63 o 10 4 0 4765.19 5388.28 579.09 o 11 4 0 97.46 153.73 466.80 o 12 4 0 116.10 91.50 501.90 o 13 4 0 1267.55 544.18 675.30 o 1 5 0 6144.54 4578.18 439.20 o 2 5 0 39901.62 34127.23 2215.74 o 3 5 0 50188.30 47433.41 1597.63 o 4 5 0 21402.99 21066.34 1538.21 o 5 5 0 10258.24 9624.80 380.96 o 6 5 0 1543.43 1857.85 222.96 o 7 5 0 5740.09 6083.80 465.33 o 8 5 0 2902.66 3615.45 1043.33 o 9 5 0 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