#------------------------------------------------------------------------------ #$Date: 2016-04-06 16:33:17 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181867 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/97/2019776.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2019776 _cell_angle_alpha 86.649 _cell_angle_beta 87.233 _cell_angle_gamma 70.502 _cell_length_a 9.1376 _cell_length_b 12.1229 _cell_length_c 13.4135 _exptl_crystal_F_000 870.00 _reflns_d_resolution_high 0.7965 _cod_data_source_file uk3108Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 437.85 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 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 1 0 0 14383.45 14310.18 650.74 o 2 0 0 21461.85 19803.30 626.57 o 3 0 0 20547.52 20673.71 660.55 o 4 0 0 5266.03 5383.36 199.11 o 5 0 0 1131.87 991.68 91.35 o 6 0 0 8282.55 8054.18 300.88 o 7 0 0 2013.79 1981.87 130.35 o 8 0 0 1879.21 2008.70 147.89 o 9 0 0 434.15 445.76 115.98 o 10 0 0 233.46 155.26 105.17 o -10 1 0 1356.01 1369.22 150.63 o -9 1 0 3121.36 3652.98 399.27 o -8 1 0 3209.18 3256.19 186.46 o -7 1 0 7050.92 7075.66 288.76 o -6 1 0 2981.47 3259.82 161.56 o -5 1 0 16013.62 15841.32 667.17 o -4 1 0 4241.08 4687.79 183.84 o -3 1 0 33886.21 33305.92 1056.21 o -2 1 0 17077.72 15183.39 489.05 o -1 1 0 14454.33 11389.02 531.68 o 0 1 0 951.13 862.18 49.27 o 1 1 0 17446.96 18385.02 831.39 o 2 1 0 10080.16 10220.97 474.20 o 3 1 0 2139.71 1802.75 120.09 o 4 1 0 389.37 343.27 42.66 o 5 1 0 127.15 167.61 64.66 o 6 1 0 5.70 3.29 45.71 o 7 1 0 118.05 19.50 60.97 o 8 1 0 153.90 256.00 83.46 o 9 1 0 1677.03 1818.01 146.69 o 10 1 0 659.04 684.65 152.93 o 11 1 0 1097.37 1229.64 225.81 o -10 2 0 2023.11 2161.76 179.55 o -9 2 0 362.62 498.79 110.47 o -8 2 0 2600.17 2988.66 180.42 o -7 2 0 944.67 1114.93 108.97 o -6 2 0 3207.67 3102.17 160.24 o -5 2 0 1417.12 2036.46 198.10 o -4 2 0 4605.47 4270.54 249.42 o -3 2 0 43.16 250.60 103.67 o -2 2 0 2239.16 1738.46 78.92 o -1 2 0 3694.25 3527.09 184.75 o 0 2 0 291.63 225.81 30.79 o 1 2 0 12257.65 14006.37 640.48 o 2 2 0 12847.74 14794.65 679.48 o 3 2 0 3825.25 4274.48 262.76 o 4 2 0 7545.06 7218.40 251.77 o 5 2 0 4639.16 5163.99 198.85 o 6 2 0 6984.00 6840.07 258.27 o 7 2 0 1815.70 1713.74 119.00 o 8 2 0 7102.58 6752.25 280.81 o 9 2 0 2450.53 2613.71 178.59 o 10 2 0 3977.26 3939.35 316.13 o 11 2 0 1115.85 1297.38 221.70 o -9 3 0 75.49 71.57 96.09 o -8 3 0 546.27 390.72 113.93 o -7 3 0 13.37 -56.57 64.12 o -6 3 0 270.89 165.83 66.02 o -5 3 0 2853.63 2566.14 236.07 o -4 3 0 6131.75 5235.57 207.95 o -3 3 0 3181.57 3812.75 404.40 o -2 3 0 8158.55 7394.54 410.56 o -1 3 0 11700.88 11974.73 390.31 o 0 3 0 373.96 504.99 57.48 o 1 3 0 10486.40 12216.31 570.68 o 2 3 0 3582.50 3693.02 190.91 o 3 3 0 12020.68 13821.61 646.64 o 4 3 0 9592.77 10627.43 513.20 o 5 3 0 16022.97 17340.14 819.07 o 6 3 0 8079.04 9068.83 327.31 o 7 3 0 9278.00 10012.21 367.21 o 8 3 0 535.73 492.85 87.06 o 9 3 0 3224.12 3378.94 268.92 o 10 3 0 107.09 168.33 131.38 o 11 3 0 1379.36 1416.44 217.60 o -9 4 0 1470.97 1711.38 206.31 o -8 4 0 1419.02 1453.55 140.75 o -7 4 0 3479.83 3209.96 184.45 o -6 4 0 4176.44 3774.96 189.87 o -5 4 0 2544.46 2331.71 134.65 o -4 4 0 10894.31 10258.56 674.35 o -3 4 0 5304.47 5936.03 223.54 o -2 4 0 26975.10 29048.75 1911.17 o -1 4 0 2468.91 2682.47 108.92 o 0 4 0 11656.91 12156.78 589.16 o 1 4 0 2555.02 3660.17 201.18 o 2 4 0 16752.58 18346.02 849.87 o 3 4 0 1433.55 1911.17 125.22 o 4 4 0 17575.46 19998.54 934.03 o 5 4 0 34.43 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7430.18 6856.41 410.56 o 9 9 0 2713.53 2635.82 236.07 o 10 9 0 2358.90 2336.10 244.29 o -5 10 0 1283.94 1857.80 256.60 o -4 10 0 668.89 589.16 172.44 o -3 10 0 4316.26 4643.47 355.14 o -2 10 0 822.34 983.30 174.49 o -1 10 0 5850.61 5630.88 379.77 o 0 10 0 3155.07 3107.96 264.81 o 1 10 0 8426.49 8617.72 486.52 o 2 10 0 2428.77 2407.95 205.28 o 3 10 0 10719.08 10220.97 548.10 o 4 10 0 3022.26 3142.86 236.07 o 5 10 0 4984.62 4721.48 305.87 o 6 10 0 4507.75 4243.17 289.45 o 7 10 0 6653.93 6209.77 381.82 o 8 10 0 1571.05 1785.95 201.18 o 9 10 0 847.27 821.13 168.33 o 10 10 0 677.68 884.76 186.81 o -4 11 0 3040.15 3046.38 314.08 o -3 11 0 1361.00 1322.01 215.55 o -2 11 0 3702.89 3783.34 320.24 o -1 11 0 1323.89 1297.38 199.12 o 0 11 0 4902.23 4846.70 353.08 o 1 11 0 2253.64 2151.35 209.39 o 2 11 0 2517.97 2446.96 215.55 o 3 11 0 3333.38 3541.11 260.71 o 4 11 0 389.67 412.62 110.85 o 6 11 0 125.59 273.02 114.96 o 7 11 0 22.61 110.85 112.90 o 8 11 0 65.76 90.32 127.27 o 9 11 0 5.61 22.58 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