#------------------------------------------------------------------------------ #$Date: 2020-09-09 08:10:14 +0300 (Wed, 09 Sep 2020) $ #$Revision: 256247 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/90/1559021.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_1559021 _cell_angle_alpha 90.000 _cell_angle_beta 96.705 _cell_angle_gamma 90.000 _cell_length_a 12.7142 _cell_length_b 17.0415 _cell_length_c 26.1784 _exptl_crystal_F_000 2600.00 _reflns_d_resolution_high 0.8370 _cod_data_source_file wm4137Isup2.hkl _cod_data_source_block I _shelx_title ' ac_4_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 756.88 _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 476365.84 476804.59 10187.88 o 3 0 0 12278.59 13586.54 444.29 o 4 0 0 529961.44 575259.06 11549.71 o 5 0 0 94.88 317.62 27.69 o 6 0 0 454413.47 506091.94 15333.77 o 7 0 0 26202.45 30999.21 1026.16 o 8 0 0 173085.84 178210.92 4973.13 o 9 0 0 6835.86 7065.48 214.68 o 10 0 0 72637.41 71646.78 1183.49 o 11 0 0 9075.99 9712.66 286.92 o 12 0 0 58179.16 57294.20 1407.63 o 13 0 0 13892.83 14029.98 354.71 o 14 0 0 31403.75 34790.10 1276.15 o 15 0 0 1389.10 2058.89 169.64 o 2 1 0 4309.42 4385.66 116.55 o 3 1 0 18679.87 21311.86 394.95 o 4 1 0 8705.67 8823.95 189.97 o 5 1 0 11149.66 12798.78 256.77 o 6 1 0 21950.41 24687.75 475.15 o 7 1 0 10961.08 11698.78 309.42 o 8 1 0 9005.76 9405.54 169.19 o 9 1 0 4196.66 4251.52 95.90 o 10 1 0 2257.48 2460.00 82.19 o 11 1 0 2732.66 2591.58 127.92 o 12 1 0 2288.91 2316.22 146.98 o 13 1 0 30.14 73.31 64.20 o 14 1 0 1350.13 1475.68 120.32 o 15 1 0 560.16 567.36 69.04 o 1 2 0 7620.32 9226.38 218.32 o 2 2 0 30029.81 31784.50 567.37 o 3 2 0 261.01 438.64 25.44 o 4 2 0 70994.65 72931.81 1607.03 o 5 2 0 3274.87 3246.93 88.91 o 6 2 0 34859.21 36847.70 690.04 o 7 2 0 343.40 311.01 59.41 o 8 2 0 22816.10 22459.71 312.86 o 9 2 0 191.99 153.06 25.49 o 10 2 0 20689.71 19799.69 356.61 o 11 2 0 103.28 79.71 27.54 o 12 2 0 16578.70 17100.71 435.85 o 13 2 0 106.90 187.15 51.42 o 14 2 0 12591.75 13383.66 397.11 o 15 2 0 168.57 246.74 59.15 o 1 3 0 7239.31 7019.43 141.26 o 2 3 0 1934.41 2084.99 71.96 o 3 3 0 1392.47 1585.50 172.05 o 4 3 0 5741.27 5563.18 239.57 o 5 3 0 3859.82 4363.73 122.98 o 6 3 0 666.39 676.80 55.49 o 7 3 0 4895.82 4869.72 244.26 o 8 3 0 1172.14 1132.41 50.11 o 9 3 0 824.92 806.32 51.73 o 10 3 0 5525.21 5534.47 150.28 o 11 3 0 231.05 288.87 40.59 o 12 3 0 5344.20 5491.50 200.36 o 13 3 0 481.84 448.00 66.97 o 14 3 0 7663.67 7890.53 225.90 o 0 4 0 35242.06 30948.91 992.87 o 1 4 0 73907.01 71427.30 1556.78 o 2 4 0 60106.43 57948.32 2606.26 o 3 4 0 20840.51 20704.80 757.25 o 4 4 0 18511.70 18194.89 551.53 o 5 4 0 5450.21 5813.83 187.37 o 6 4 0 9916.80 10119.31 243.29 o 7 4 0 1457.91 1306.83 130.68 o 8 4 0 25706.18 24628.58 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1427.78 96.11 o 7 11 0 14801.46 14163.71 330.30 o 8 11 0 101.19 182.10 45.33 o 9 11 0 30361.88 29785.84 825.50 o 10 11 0 193.22 204.97 59.24 o 11 11 0 5778.15 5811.34 313.06 o 12 11 0 2404.50 2461.83 209.75 o 0 12 0 75800.28 73315.30 1711.07 o 1 12 0 4.63 18.84 54.22 o 2 12 0 41388.57 39241.30 801.08 o 3 12 0 486.38 722.61 133.65 o 4 12 0 40848.07 40003.61 1086.86 o 5 12 0 51.56 119.36 61.06 o 6 12 0 47336.40 48011.99 853.67 o 7 12 0 553.99 557.70 79.38 o 8 12 0 41258.21 40671.36 1454.05 o 9 12 0 61.33 107.95 53.84 o 10 12 0 28184.72 26834.63 603.98 o 11 12 0 675.12 620.70 77.57 o 12 12 0 26474.87 23624.95 2380.56 o 1 13 0 8949.33 8402.57 215.70 o 2 13 0 404.39 543.02 65.33 o 3 13 0 4761.90 4642.14 185.57 o 4 13 0 683.07 674.74 82.90 o 5 13 0 6289.62 6542.62 236.51 o 6 13 0 1027.38 901.55 97.02 o 7 13 0 4334.62 4471.79 230.72 o 8 13 0 329.02 229.97 108.77 o 9 13 0 807.13 950.56 164.11 o 10 13 0 613.85 564.19 88.89 o 11 13 0 1977.64 1981.87 112.56 o 0 14 0 51052.03 49974.16 1410.79 o 1 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