#------------------------------------------------------------------------------ #$Date: 2016-09-06 13:38:26 +0300 (Tue, 06 Sep 2016) $ #$Revision: 186170 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241830.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_2241830 _cell_angle_alpha 90.000 _cell_angle_beta 96.511 _cell_angle_gamma 90.000 _cell_length_a 9.8193 _cell_length_b 16.0492 _cell_length_c 11.3312 _exptl_crystal_F_000 996.00 _reflns_d_resolution_high 0.8301 _cod_data_source_file vn2114Isup2.hkl _cod_data_source_block I _shelx_title ' rkiet10 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 356.66 _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 5177.74 4960.88 130.00 o 4 0 0 21088.49 22015.90 598.32 o 6 0 0 59073.84 59656.89 1353.70 o 8 0 0 7152.25 6913.82 252.00 o 10 0 0 1055.40 1090.23 124.99 o 1 1 0 24685.66 23054.90 504.07 o 2 1 0 1921.99 1996.52 46.40 o 3 1 0 119316.55 116766.17 2141.74 o 4 1 0 5933.66 6784.93 143.04 o 5 1 0 15775.54 16644.74 337.99 o 6 1 0 593.85 598.43 46.76 o 7 1 0 2068.13 2315.83 98.55 o 8 1 0 613.42 560.95 61.88 o 9 1 0 27439.50 26394.19 477.62 o 10 1 0 25.40 16.55 29.77 o 11 1 0 1855.50 1746.06 78.20 o 0 2 0 79829.71 69364.73 3281.70 o 1 2 0 59.79 95.96 14.38 o 2 2 0 24689.85 25965.72 406.90 o 3 2 0 10314.77 11316.86 210.65 o 4 2 0 12761.36 13338.12 310.75 o 5 2 0 1363.50 1740.11 87.78 o 6 2 0 47548.74 47825.97 664.13 o 7 2 0 2911.00 3134.58 106.60 o 8 2 0 6194.50 5949.10 173.49 o 9 2 0 2268.29 2444.31 144.27 o 10 2 0 2318.19 2234.67 102.65 o 11 2 0 19.71 1.94 24.66 o 1 3 0 20660.37 20479.62 320.83 o 2 3 0 913.50 991.62 32.60 o 3 3 0 32577.46 34603.84 584.19 o 4 3 0 5859.38 6283.45 135.49 o 5 3 0 5554.88 5932.79 151.31 o 6 3 0 3702.05 4031.20 93.09 o 7 3 0 4350.15 4396.84 123.87 o 8 3 0 15.82 54.46 34.76 o 9 3 0 13755.35 13757.13 302.71 o 10 3 0 2298.06 2447.06 104.63 o 11 3 0 6006.31 5735.46 187.76 o 0 4 0 24678.09 25329.98 652.01 o 1 4 0 317.29 385.99 24.86 o 2 4 0 1494.83 1528.98 54.54 o 3 4 0 290.73 347.11 27.77 o 4 4 0 4583.63 5172.58 129.75 o 5 4 0 1745.18 1869.65 74.48 o 6 4 0 15661.01 14964.98 265.36 o 7 4 0 1141.64 1319.45 87.18 o 8 4 0 3608.37 3754.94 136.62 o 9 4 0 2599.14 2593.04 118.97 o 10 4 0 568.09 528.17 49.25 o 11 4 0 174.00 182.74 45.78 o 1 5 0 1612.74 1684.99 42.01 o 2 5 0 2076.83 2109.09 52.68 o 3 5 0 22097.18 22561.42 395.73 o 4 5 0 5318.69 5448.37 136.49 o 5 5 0 5135.41 4946.97 104.52 o 6 5 0 35.37 80.63 24.23 o 7 5 0 22.55 82.11 32.59 o 8 5 0 1714.01 1707.26 87.17 o 9 5 0 11382.30 11430.90 260.87 o 10 5 0 2837.61 2929.12 111.75 o 11 5 0 1926.90 1970.19 130.37 o 0 6 0 41216.52 42145.11 1082.22 o 1 6 0 7319.33 7700.25 166.91 o 2 6 0 126.76 122.49 16.41 o 3 6 0 707.85 821.60 43.65 o 4 6 0 44.90 29.69 19.30 o 5 6 0 7314.55 7319.88 139.23 o 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126.34 o 3 17 0 1959.42 2008.23 96.72 o 4 17 0 3217.88 3390.10 174.76 o 5 17 0 891.55 828.52 78.17 o 0 18 0 3212.10 2927.42 156.40 o 1 18 0 3922.21 3272.13 146.89 o 2 18 0 1774.26 1776.91 138.90 o 3 18 0 191.30 189.28 43.45 o 4 18 0 455.44 504.98 47.31 o 1 19 0 1570.69 1329.79 105.11 o 2 19 0 567.08 554.24 60.48 o -11 0 1 9292.04 8479.91 291.77 o -9 0 1 268.26 392.81 67.57 o -7 0 1 12545.99 12589.87 358.00 o -5 0 1 65680.84 69146.05 2167.34 o -3 0 1 12050.68 12283.83 292.83 o -1 0 1 54332.34 51870.13 1181.94 o 1 0 1 97720.48 89269.05 2961.42 o 3 0 1 42723.91 45751.06 1004.54 o 5 0 1 9849.42 9527.46 305.79 o 7 0 1 26578.60 27236.60 551.30 o 9 0 1 4963.83 4666.04 177.84 o 11 0 1 1327.77 1126.64 252.97 o -11 1 1 174.67 139.99 31.14 o -10 1 1 11781.29 11354.35 237.44 o -9 1 1 184.49 204.73 43.47 o -8 1 1 16630.13 16250.39 344.88 o -7 1 1 327.39 340.78 40.05 o -6 1 1 3722.15 3760.55 107.94 o -5 1 1 1318.64 1542.71 83.31 o -4 1 1 34605.02 36304.81 572.77 o -3 1 1 2822.81 2867.21 65.92 o -2 1 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