#------------------------------------------------------------------------------ #$Date: 2021-12-17 04:58:28 +0200 (Fri, 17 Dec 2021) $ #$Revision: 271492 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243951.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_2243951 _cell_angle_alpha 90.000 _cell_angle_beta 93.057 _cell_angle_gamma 90.000 _cell_length_a 11.8528 _cell_length_b 10.9022 _cell_length_c 24.9268 _exptl_crystal_F_000 1320.00 _reflns_d_resolution_high 0.8388 _cod_data_source_file yz20141sup2.hkl _cod_data_source_block 1 _shelx_title ' 02252 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 330.60 _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 46298.40 55008.77 1491.08 o 4 0 0 335.41 370.92 27.00 o 6 0 0 6.67 66.42 59.27 o 8 0 0 2882.92 2967.11 96.49 o 10 0 0 1102.47 1004.20 71.70 o 12 0 0 3.62 214.35 81.81 o 14 0 0 345.79 544.84 107.13 o 1 1 0 154.72 158.86 7.82 o 2 1 0 311.30 312.51 14.28 o 3 1 0 6915.12 6967.88 146.57 o 4 1 0 4289.27 4023.92 82.19 o 5 1 0 1390.78 1494.84 34.64 o 6 1 0 974.23 1003.91 36.61 o 7 1 0 790.06 928.92 30.61 o 8 1 0 2480.77 2543.13 61.10 o 9 1 0 366.92 373.69 36.46 o 10 1 0 407.43 475.10 55.97 o 11 1 0 174.80 183.87 41.58 o 12 1 0 481.93 586.72 68.31 o 13 1 0 34.40 122.83 63.79 o 14 1 0 236.95 322.87 72.76 o 0 2 0 15507.72 14835.50 705.47 o 1 2 0 23330.49 22099.34 567.17 o 2 2 0 106.62 195.86 43.97 o 3 2 0 0.31 21.07 19.70 o 4 2 0 196.96 256.54 23.46 o 5 2 0 1411.59 1571.02 40.10 o 6 2 0 1512.12 1374.54 34.76 o 7 2 0 390.53 393.52 24.26 o 8 2 0 3691.62 3627.49 82.02 o 9 2 0 973.52 967.76 40.88 o 10 2 0 647.35 621.02 38.54 o 11 2 0 37.09 48.55 63.08 o 12 2 0 184.97 201.47 59.22 o 13 2 0 3.00 184.69 65.24 o 1 3 0 21279.15 20918.10 569.47 o 2 3 0 3764.55 3683.06 69.21 o 3 3 0 384.07 367.81 19.89 o 4 3 0 2375.39 2063.99 48.43 o 5 3 0 209.09 186.78 25.32 o 6 3 0 1926.31 1872.77 48.10 o 7 3 0 32.99 78.07 31.41 o 8 3 0 1224.91 1291.05 44.25 o 9 3 0 14.98 65.04 37.69 o 10 3 0 849.43 898.24 52.21 o 11 3 0 1050.73 1096.72 52.12 o 12 3 0 185.63 300.36 51.76 o 13 3 0 11.57 159.14 64.80 o 0 4 0 2389.52 2783.91 129.31 o 1 4 0 2.28 0.94 20.77 o 2 4 0 7625.84 6788.60 146.14 o 3 4 0 1.05 -8.79 14.44 o 4 4 0 678.72 750.00 27.74 o 5 4 0 982.00 1112.76 35.14 o 6 4 0 643.46 633.92 30.44 o 7 4 0 485.34 438.95 30.75 o 8 4 0 1703.75 1725.05 51.52 o 9 4 0 1.98 -31.92 31.92 o 10 4 0 3143.94 2897.73 73.80 o 11 4 0 18.65 72.93 38.32 o 12 4 0 4.16 95.63 48.62 o 13 4 0 34.76 168.67 89.94 o 1 5 0 425.24 392.31 23.17 o 2 5 0 12933.67 11923.58 230.17 o 3 5 0 874.99 814.23 29.53 o 4 5 0 4644.24 4148.58 88.24 o 5 5 0 639.40 491.11 26.54 o 6 5 0 336.52 320.63 27.58 o 7 5 0 440.72 509.22 32.17 o 8 5 0 1112.45 1151.74 44.14 o 9 5 0 240.21 180.98 38.78 o 10 5 0 18.78 96.17 39.15 o 11 5 0 353.97 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447.88 40.85 o 12 2 1 87.46 114.26 49.04 o 13 2 1 458.35 432.19 104.38 o -13 3 1 0.99 160.26 150.82 o -12 3 1 78.57 83.20 52.93 o -11 3 1 2324.66 2076.75 96.87 o -10 3 1 396.84 393.52 36.60 o -9 3 1 5463.07 5206.57 113.38 o -8 3 1 665.90 708.41 36.27 o -7 3 1 972.50 985.34 39.39 o -6 3 1 401.87 393.63 26.33 o -5 3 1 48.02 32.54 22.15 o -4 3 1 44.92 66.21 19.57 o -3 3 1 1499.35 1390.32 31.59 o -2 3 1 571.71 600.01 22.75 o -1 3 1 655.90 752.78 39.59 o 0 3 1 13961.32 13280.35 502.87 o 1 3 1 722.69 793.90 27.85 o 2 3 1 519.49 493.52 20.82 o 3 3 1 82.94 67.29 16.27 o 4 3 1 503.95 531.14 29.32 o 5 3 1 4340.10 4139.79 86.89 o 6 3 1 383.69 384.91 28.79 o 7 3 1 4593.00 4236.30 92.18 o 8 3 1 1.50 -17.61 30.91 o 9 3 1 2161.18 2129.43 59.89 o 10 3 1 160.94 126.78 34.48 o 11 3 1 0.02 71.43 35.45 o 12 3 1 218.91 288.62 52.63 o 13 3 1 515.48 551.97 108.22 o -13 4 1 696.95 858.85 120.91 o -12 4 1 964.97 950.96 60.72 o -11 4 1 370.10 309.11 40.49 o -10 4 1 13.69 18.90 33.21 o -9 4 1 1621.55 1662.30 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