#------------------------------------------------------------------------------ #$Date: 2016-09-06 13:40:02 +0300 (Tue, 06 Sep 2016) $ #$Revision: 186180 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241838.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_2241838 _cell_angle_alpha 90.000 _cell_angle_beta 101.221 _cell_angle_gamma 90.000 _cell_length_a 10.0452 _cell_length_b 13.1510 _cell_length_c 21.0926 _exptl_crystal_F_000 1436.00 _reflns_d_resolution_high 0.6998 _cod_data_source_file hb7612Isup2.hkl _cod_data_source_block I _shelx_title ' yb' _shelx_refln_list_code 4 _shelx_f_calc_maximum 607.26 _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 162112.98 167147.08 3533.26 o 2 0 0 18882.89 17487.18 1909.33 o 3 0 0 7798.89 7263.95 186.06 o 4 0 0 13712.98 13956.96 248.59 o 5 0 0 12697.19 13373.73 207.32 o 6 0 0 537.38 428.73 43.16 o 7 0 0 111.05 53.24 38.93 o 8 0 0 1096.70 1072.86 68.16 o 9 0 0 145.25 74.21 54.11 o 10 0 0 5703.68 5880.99 155.69 o 11 0 0 10434.34 10643.13 429.92 o 12 0 0 14062.56 14042.72 531.07 o 13 0 0 2892.18 3327.33 281.79 o 1 1 0 499.51 666.69 9.66 o 2 1 0 58198.99 60750.14 538.86 o 3 1 0 21365.54 20766.37 469.19 o 4 1 0 22909.98 21846.49 258.18 o 5 1 0 40560.21 40102.53 484.95 o 6 1 0 27726.11 26764.30 324.87 o 7 1 0 32839.14 31883.48 348.44 o 8 1 0 23266.70 22746.35 248.07 o 9 1 0 14944.52 14748.61 183.57 o 10 1 0 11744.53 11845.28 208.03 o 11 1 0 3883.77 3942.16 161.13 o 12 1 0 1619.40 1607.78 151.98 o 13 1 0 173.11 76.51 114.87 o 0 2 0 42057.24 48307.12 609.82 o 1 2 0 110496.32 120790.96 1054.94 o 2 2 0 9750.60 10052.75 92.24 o 3 2 0 68184.98 69063.96 570.78 o 4 2 0 10757.96 10837.70 117.28 o 5 2 0 7839.74 7291.03 91.47 o 6 2 0 22.82 12.57 23.44 o 7 2 0 1970.70 1820.95 59.39 o 8 2 0 546.41 577.67 47.36 o 9 2 0 1492.16 1621.38 77.92 o 10 2 0 1446.05 1480.78 84.12 o 11 2 0 6682.61 6606.68 158.78 o 12 2 0 5223.32 5262.38 223.43 o 13 2 0 6459.11 7044.20 273.34 o 1 3 0 2131.17 2425.13 37.98 o 2 3 0 30783.91 32599.62 297.07 o 3 3 0 23996.01 24339.51 210.32 o 4 3 0 35084.78 35467.23 329.87 o 5 3 0 50014.36 47819.35 717.02 o 6 3 0 22612.69 21725.09 401.78 o 7 3 0 28176.03 27485.71 308.56 o 8 3 0 12595.00 12415.17 170.79 o 9 3 0 5480.98 5302.68 174.76 o 10 3 0 4818.08 4662.92 128.08 o 11 3 0 2708.24 2590.91 129.46 o 12 3 0 2082.55 2335.49 113.93 o 13 3 0 512.65 747.48 136.22 o 0 4 0 98252.73 105463.33 1315.44 o 1 4 0 18611.14 18578.92 198.42 o 2 4 0 99692.25 105960.80 927.45 o 3 4 0 25364.56 25534.03 221.87 o 4 4 0 6232.42 5884.53 76.26 o 5 4 0 3890.27 4040.70 64.02 o 6 4 0 2658.11 2689.00 61.50 o 7 4 0 230.17 293.26 41.19 o 8 4 0 745.14 739.36 72.17 o 9 4 0 1395.52 1532.93 141.94 o 10 4 0 7721.39 7279.15 188.49 o 11 4 0 6688.84 6675.00 228.01 o 12 4 0 10432.66 10651.42 221.07 o 13 4 0 2438.64 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19716.34 208.37 o 6 7 0 15662.02 15591.75 234.87 o 7 7 0 34781.54 34001.86 439.08 o 8 7 0 13381.89 13529.30 269.53 o 9 7 0 7960.40 7855.26 203.58 o 10 7 0 3772.69 3810.41 153.40 o 11 7 0 3857.68 3947.27 226.00 o 12 7 0 882.46 717.98 107.22 o 0 8 0 62825.96 68063.19 761.14 o 1 8 0 27635.46 28857.27 288.69 o 2 8 0 20453.48 20738.70 216.04 o 3 8 0 4169.75 4183.56 76.74 o 4 8 0 14672.69 15089.21 170.12 o 5 8 0 3648.34 3828.00 102.03 o 6 8 0 1550.69 1581.09 116.81 o 7 8 0 2.83 -45.98 45.98 o 8 8 0 115.42 -8.56 53.22 o 9 8 0 937.70 944.86 95.06 o 10 8 0 2587.83 2645.70 138.77 o 11 8 0 2254.28 2418.45 197.06 o 12 8 0 5095.11 5562.99 202.59 o 1 9 0 3645.74 3619.75 103.40 o 2 9 0 4209.52 4242.50 77.40 o 3 9 0 12643.98 13031.51 155.30 o 4 9 0 6661.67 6580.56 99.24 o 5 9 0 8109.15 7867.84 152.82 o 6 9 0 21486.15 20676.07 299.07 o 7 9 0 11461.21 11377.23 205.27 o 8 9 0 12351.21 12023.53 220.71 o 9 9 0 5178.58 5131.14 175.03 o 10 9 0 4781.93 5130.43 183.25 o 11 9 0 1042.52 978.98 113.26 o 0 10 0 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5359.90 136.04 o 5 16 0 645.01 829.24 85.14 o 6 16 0 66.92 25.15 66.03 o 7 16 0 296.98 188.97 111.62 o 1 17 0 13.55 128.61 75.71 o 2 17 0 44.80 84.83 74.86 o 3 17 0 1261.13 1239.92 111.07 o 4 17 0 2045.41 1973.67 129.61 o 5 17 0 756.96 597.43 98.31 o 2 18 0 2118.36 1900.30 223.99 o 3 18 0 308.72 162.57 155.35 o -13 1 1 235.29 263.06 117.43 o -12 1 1 389.56 429.92 117.51 o -11 1 1 1273.59 1289.41 113.68 o -10 1 1 119.00 83.26 51.78 o -9 1 1 5615.22 5579.82 101.01 o -8 1 1 20.30 -18.88 30.83 o -7 1 1 584.47 656.07 39.00 o -6 1 1 3428.24 3268.30 68.34 o -5 1 1 1882.25 2134.58 56.47 o -4 1 1 5390.90 5462.73 84.41 o -3 1 1 2152.87 2236.40 62.17 o -2 1 1 7916.89 8046.66 153.79 o -1 1 1 576.23 629.42 20.51 o 0 1 1 519.93 322.19 22.16 o 1 1 1 1948.01 2030.87 31.54 o 2 1 1 4655.94 4717.51 61.77 o 3 1 1 2278.57 2210.99 44.55 o 4 1 1 193.17 210.67 23.10 o 5 1 1 196.85 147.49 22.29 o 6 1 1 1465.32 1328.54 55.78 o 7 1 1 503.83 508.48 56.99 o 8 1 1 403.54 357.69 39.38 o 9 1 1 2470.35 2463.39 75.93 o 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