#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:51:14 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108098.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_2108098 _cell_angle_alpha 90.000 _cell_angle_beta 115.261 _cell_angle_gamma 90.000 _cell_length_a 27.5303 _cell_length_b 19.6477 _cell_length_c 13.7534 _exptl_crystal_F_000 3600.00 _reflns_d_resolution_high 0.7678 _cod_data_source_file eb5059180csup3.hkl _cod_data_source_block 180c _shelx_title ' XBP78_180 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 894.22 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, 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 5 1 -17 69.64 41.26 53.05 o 7 1 -17 54.75 117.54 55.51 o 9 1 -17 69.04 42.51 71.27 o 11 1 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1705.12 1532.80 113.96 o 20 4 -17 4812.77 4499.74 177.66 o 22 4 -17 2054.46 2078.62 127.32 o 7 5 -17 310.04 292.59 90.03 o 9 5 -17 29.95 48.23 55.51 o 11 5 -17 140.76 228.33 60.83 o 13 5 -17 28.50 82.27 73.55 o 15 5 -17 233.46 191.31 63.66 o 17 5 -17 156.88 180.99 191.31 o 19 5 -17 1606.31 1649.22 116.71 o 21 5 -17 558.36 552.06 79.57 o 8 6 -17 155.68 157.55 82.53 o 10 6 -17 3637.25 3526.21 142.94 o 12 6 -17 133.45 109.81 71.27 o 14 6 -17 7375.37 7265.60 249.16 o 16 6 -17 159.28 267.59 66.15 o 18 6 -17 26744.71 24462.83 681.67 o 20 6 -17 935.98 921.23 123.79 o 11 7 -17 1.53 9.55 57.63 o 13 7 -17 161.37 123.79 68.96 o 15 7 -17 170.41 172.55 75.02 o 17 7 -17 636.63 552.89 135.04 o 19 7 -17 356.10 382.84 127.54 o 0 0 -16 7674.67 7071.81 225.04 o 2 0 -16 7828.94 7103.92 307.59 o 4 0 -16 14367.35 14800.53 600.18 o 6 0 -16 118.73 112.53 90.03 o 8 0 -16 4984.31 4658.17 232.57 o 10 0 -16 144.60 90.03 75.02 o 12 0 -16 1893.65 1905.58 142.54 o 14 0 -16 249.60 165.05 82.53 o 16 0 -16 3375.89 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187.56 90.03 o 23 7 -16 166.12 265.36 71.47 o 25 7 -16 2198.82 2654.88 140.51 o 4 8 -16 20751.48 21288.78 583.25 o 6 8 -16 205.85 195.21 49.62 o 8 8 -16 13707.41 13657.54 321.84 o 10 8 -16 1610.01 1564.05 108.65 o 12 8 -16 2274.27 2051.41 111.02 o 14 8 -16 57.70 -13.22 55.51 o 16 8 -16 5405.71 5443.16 217.57 o 18 8 -16 79.16 90.03 60.83 o 20 8 -16 2933.65 2990.89 140.51 o 22 8 -16 170.32 171.40 68.35 o 24 8 -16 13972.74 13187.53 562.67 o 5 9 -16 805.58 955.71 99.71 o 7 9 -16 12.57 56.05 45.70 o 9 9 -16 9.51 -21.30 42.88 o 11 9 -16 136.71 115.75 55.51 o 13 9 -16 231.07 169.34 108.78 o 15 9 -16 528.53 362.82 68.96 o 17 9 -16 189.24 157.55 67.52 o 19 9 -16 251.77 236.59 108.78 o 21 9 -16 247.76 245.91 108.78 o 8 10 -16 141.40 165.25 50.08 o 10 10 -16 58.95 49.79 57.63 o 12 10 -16 860.60 894.73 82.10 o 14 10 -16 116.76 159.95 66.15 o 16 10 -16 1486.16 1437.64 116.35 o 18 10 -16 312.26 278.01 71.47 o 20 10 -16 1097.63 1099.64 99.13 o 11 11 -16 129.76 134.06 63.77 o 13 11 -16 100.58 95.65 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48.04 o 7 11 -15 112.45 124.43 44.15 o 9 11 -15 730.17 741.88 60.33 o 11 11 -15 8.00 1.42 41.57 o 13 11 -15 645.10 505.27 142.54 o 15 11 -15 402.40 364.87 127.54 o 17 11 -15 890.00 914.19 202.56 o 19 11 -15 93.74 87.74 60.83 o 21 11 -15 853.21 621.69 79.57 o 23 11 -15 394.28 341.68 93.78 o 4 12 -15 477.50 825.25 127.54 o 6 12 -15 6098.71 5817.13 156.22 o 8 12 -15 923.28 937.90 67.51 o 10 12 -15 66.06 75.31 44.14 o 12 12 -15 624.76 683.84 97.08 o 14 12 -15 192.37 240.07 63.66 o 16 12 -15 1527.41 1735.20 111.02 o 18 12 -15 102.45 90.03 63.66 o 20 12 -15 602.69 644.53 82.10 o 7 13 -15 2657.27 2902.39 102.33 o 9 13 -15 297.19 295.39 51.01 o 11 13 -15 685.94 680.19 70.14 o 13 13 -15 255.00 228.00 60.83 o 15 13 -15 1106.36 1287.96 107.88 o 17 13 -15 622.16 431.95 82.53 o 19 13 -15 1876.32 1950.60 172.55 o -8 0 -14 121.68 75.02 90.03 o -6 0 -14 4706.03 4378.09 116.09 o -4 0 -14 27490.71 27640.28 607.68 o -2 0 -14 17424.59 16587.96 463.98 o 0 0 -14 19695.52 20112.98 671.46 o 2 0 -14 4970.81 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