#------------------------------------------------------------------------------ #$Date: 2019-02-02 05:33:04 +0200 (Sat, 02 Feb 2019) $ #$Revision: 213441 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021468.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_2021468 _cell_angle_alpha 90.000 _cell_angle_beta 94.494 _cell_angle_gamma 90.000 _cell_length_a 9.3529 _cell_length_b 17.6217 _cell_length_c 11.3758 _exptl_crystal_F_000 976.00 _reflns_d_resolution_high 0.8403 _cod_data_source_file lf3085150915a_sqsup3.hkl _cod_data_source_block 150915a_sq _shelx_title ' 150915a in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 314.39 _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 58961.84 71090.61 531.43 o 4 0 0 28116.68 28972.22 385.82 o 6 0 0 17368.07 17502.93 242.54 o 8 0 0 1894.56 2264.46 192.24 o 10 0 0 771.98 803.17 149.78 o 1 1 0 45216.03 47639.70 410.43 o 2 1 0 3007.12 2999.03 129.21 o 3 1 0 10072.82 10320.81 237.25 o 4 1 0 1731.27 2094.39 51.66 o 5 1 0 14009.52 14486.45 202.04 o 6 1 0 1790.11 1737.39 48.98 o 7 1 0 3443.11 3403.63 123.97 o 8 1 0 1257.82 1255.80 107.94 o 9 1 0 1068.48 993.87 196.37 o 10 1 0 843.06 825.40 110.94 o 11 1 0 221.24 155.39 71.96 o 1 2 0 4406.16 4752.15 134.48 o 2 2 0 68.40 119.46 27.07 o 3 2 0 2727.96 3352.02 47.73 o 4 2 0 797.93 966.46 32.30 o 5 2 0 7827.18 7958.41 149.41 o 6 2 0 3591.22 3646.26 65.60 o 7 2 0 5276.14 5229.80 114.92 o 8 2 0 469.23 420.75 79.11 o 9 2 0 3107.01 2820.21 311.95 o 10 2 0 99.94 41.93 61.33 o 11 2 0 1073.96 1102.97 132.68 o 1 3 0 730.01 804.98 30.21 o 2 3 0 767.10 950.24 32.40 o 3 3 0 1948.44 1973.21 64.15 o 4 3 0 3776.36 3894.83 77.21 o 5 3 0 2048.70 2208.90 51.00 o 6 3 0 4090.65 3645.74 585.16 o 7 3 0 744.32 680.95 48.16 o 8 3 0 3102.62 2930.33 114.42 o 9 3 0 156.96 157.87 64.99 o 10 3 0 2050.54 2082.52 155.45 o 0 4 0 28282.53 30589.04 347.92 o 1 4 0 296.68 227.30 34.22 o 2 4 0 14389.84 14695.66 646.64 o 3 4 0 1318.60 1310.52 52.15 o 4 4 0 22174.28 23378.29 489.47 o 5 4 0 1078.51 1084.96 37.88 o 6 4 0 10116.97 9919.70 363.01 o 7 4 0 1876.49 2055.06 123.02 o 8 4 0 1736.50 1616.55 211.38 o 9 4 0 810.50 722.59 92.47 o 10 4 0 429.34 525.73 90.62 o 1 5 0 43904.13 54815.13 2173.05 o 2 5 0 718.10 627.89 63.16 o 3 5 0 30165.88 29661.02 962.53 o 4 5 0 11.70 68.28 19.49 o 5 5 0 20047.65 21121.06 706.49 o 6 5 0 35.12 12.70 30.54 o 7 5 0 5709.60 5374.02 137.77 o 8 5 0 0.01 -17.56 35.12 o 9 5 0 1233.88 1222.45 115.69 o 10 5 0 45.80 32.69 57.74 o 0 6 0 24736.91 31143.37 406.89 o 1 6 0 2346.15 3039.84 99.07 o 2 6 0 29755.43 31644.16 3407.48 o 3 6 0 2988.65 3147.79 142.31 o 4 6 0 21703.38 23023.02 571.32 o 5 6 0 595.03 613.07 46.98 o 6 6 0 8275.84 7980.76 215.76 o 7 6 0 962.87 1095.19 89.40 o 8 6 0 1614.29 1351.66 82.63 o 9 6 0 984.99 1013.49 112.48 o 10 6 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