#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:43:47 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199174 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242208.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_2242208 _cell_angle_alpha 90.000 _cell_angle_beta 93.095 _cell_angle_gamma 90.000 _cell_length_a 9.5048 _cell_length_b 13.3872 _cell_length_c 20.3322 _exptl_crystal_F_000 1432.00 _reflns_d_resolution_high 0.7958 _cod_data_source_file zl2694Isup2.hkl _cod_data_source_block I _shelx_title ' vt-1-178 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 473.58 _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 1 0 0 12231.29 13840.13 169.64 o 2 0 0 141906.05 125948.59 1100.81 o 4 0 0 56232.88 55457.88 498.83 o 5 0 0 5759.88 7901.16 499.26 o 6 0 0 20010.79 19252.54 880.93 o 7 0 0 80.71 -37.51 61.88 o 8 0 0 3028.78 3093.51 449.44 o 9 0 0 2410.60 2466.66 191.57 o 10 0 0 931.05 1044.36 121.94 o 11 0 0 3824.60 3734.34 188.39 o 1 1 0 69837.43 61018.57 285.53 o 2 1 0 2537.87 2632.65 92.50 o 3 1 0 37729.07 40787.20 726.11 o 4 1 0 17909.93 19438.41 271.94 o 5 1 0 23897.49 24960.13 352.27 o 6 1 0 5226.82 5159.18 323.47 o 7 1 0 6586.37 6316.02 397.85 o 8 1 0 5787.37 6451.67 165.20 o 9 1 0 2101.66 2056.24 124.15 o 10 1 0 3788.04 4229.92 167.95 o 11 1 0 932.96 963.43 67.96 o 0 2 0 9286.11 6301.25 283.55 o 1 2 0 1157.37 1774.70 89.31 o 3 2 0 3173.55 2656.90 83.80 o 4 2 0 2085.78 2957.73 110.61 o 5 2 0 3107.03 2586.18 116.15 o 6 2 0 58.27 159.01 44.96 o 7 2 0 10962.04 9830.10 719.81 o 8 2 0 863.10 761.98 52.63 o 9 2 0 1583.00 1581.20 108.21 o 10 2 0 607.42 635.23 66.91 o 11 2 0 192.23 213.66 56.69 o 1 3 0 8286.04 10560.10 249.25 o 2 3 0 2124.10 2690.12 124.96 o 3 3 0 597.80 641.39 64.86 o 4 3 0 76.16 52.65 22.05 o 5 3 0 4179.09 4989.77 190.30 o 6 3 0 1606.29 1713.65 133.59 o 7 3 0 384.37 383.74 57.53 o 8 3 0 861.36 719.24 58.78 o 9 3 0 49.48 102.79 45.78 o 10 3 0 772.35 917.12 115.97 o 11 3 0 247.98 200.62 47.10 o 1 4 0 12906.76 14478.00 316.77 o 2 4 0 17020.78 22160.13 373.41 o 3 4 0 16017.91 16874.33 392.43 o 4 4 0 12468.82 14723.94 1158.56 o 5 4 0 17405.00 18703.43 1260.66 o 6 4 0 4956.16 4725.04 485.02 o 7 4 0 16044.96 16863.51 419.99 o 8 4 0 3789.81 3816.77 137.52 o 9 4 0 5016.24 5184.26 192.07 o 10 4 0 1591.13 1792.79 102.42 o 11 4 0 1817.30 1997.01 135.31 o 1 5 0 73522.99 78746.49 1229.61 o 2 5 0 5437.70 7189.67 331.47 o 3 5 0 77696.79 87282.30 4355.69 o 4 5 0 2169.43 2888.82 320.07 o 5 5 0 13397.47 14531.29 678.14 o 6 5 0 4534.72 4274.19 467.09 o 7 5 0 9731.63 9527.08 248.14 o 8 5 0 6368.92 6356.04 216.84 o 9 5 0 4511.32 4408.47 176.49 o 10 5 0 1302.34 1314.68 85.30 o 11 5 0 135.34 112.96 39.57 o 0 6 0 57245.90 66713.07 3742.09 o 1 6 0 2302.83 2544.86 166.75 o 2 6 0 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15442.89 232.87 o 1 1 1 12450.58 15641.03 293.55 o 2 1 1 176.67 490.44 54.99 o 4 1 1 8123.77 7220.83 175.48 o 5 1 1 15009.75 15768.71 292.58 o 6 1 1 2979.34 2462.67 227.46 o 7 1 1 2679.02 2884.00 272.03 o 8 1 1 2021.30 2104.95 94.94 o 9 1 1 3046.15 3188.80 152.80 o 10 1 1 1659.56 1799.74 109.58 o 11 1 1 4049.33 4487.92 140.10 o -11 2 1 4073.69 4277.73 208.62 o -10 2 1 6.48 -26.99 35.32 o -9 2 1 7451.58 8283.87 654.05 o -8 2 1 1103.44 1016.57 121.44 o -7 2 1 12644.82 12046.26 802.58 o -6 2 1 4986.27 4943.70 318.27 o -5 2 1 34264.15 38696.07 1294.06 o -4 2 1 24770.03 27348.01 832.32 o -3 2 1 23324.88 25623.33 414.90 o -2 2 1 36732.15 38136.96 672.34 o -1 2 1 754.99 650.32 73.58 o 0 2 1 28683.24 27997.28 1032.12 o 1 2 1 2376.34 1857.47 59.54 o 2 2 1 37051.11 36742.12 479.93 o 3 2 1 4.01 28.73 23.26 o 4 2 1 48349.07 52135.62 493.38 o 5 2 1 19.11 49.06 26.22 o 6 2 1 21307.89 22995.00 692.37 o 7 2 1 23.04 35.29 31.03 o 8 2 1 5644.54 6079.03 208.74 o 9 2 1 1123.96 1133.10 98.15 o 10 2 1 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173.12 31.80 o -3 4 24 692.28 761.74 58.71 o -2 4 24 667.79 720.73 61.25 o -1 4 24 797.50 899.92 70.27 o 0 4 24 628.74 710.28 61.71 o 1 4 24 1636.78 1892.06 93.87 o 2 4 24 367.25 406.16 28.33 o -2 5 24 589.48 601.37 49.70 o -1 5 24 875.85 774.90 57.59 o 0 5 24 1671.46 1724.85 83.12 o -2 1 25 88.13 88.96 23.47 o -1 1 25 1016.91 1194.29 71.44 o 0 1 25 346.58 366.43 41.88 o 1 1 25 918.58 965.70 63.00 o -2 2 25 1858.90 1855.29 84.08 o -1 2 25 371.89 399.49 44.11 o 0 2 25 1469.15 1510.32 80.56 o 1 2 25 767.55 781.78 55.23 o -1 3 25 918.24 828.08 57.15 o 0 3 25 112.49 119.39 24.28 o