#------------------------------------------------------------------------------ #$Date: 2019-10-24 07:12:52 +0300 (Thu, 24 Oct 2019) $ #$Revision: 219488 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/31/2243145.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_2243145 _cell_angle_alpha 106.417 _cell_angle_beta 112.282 _cell_angle_gamma 96.221 _cell_length_a 13.6265 _cell_length_b 14.7422 _cell_length_c 16.9397 _exptl_crystal_F_000 1400.00 _reflns_d_resolution_high 0.7987 _cod_data_source_file wm55192sup3.hkl _cod_data_source_block 2 _shelx_title ' tac228 in P-1 No2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 287.53 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 2 0 0 571.86 658.15 16.91 o 3 0 0 2231.12 2081.86 23.99 o 4 0 0 1703.04 1782.01 24.90 o 5 0 0 16915.11 16183.92 101.10 o 6 0 0 16335.12 17467.17 106.61 o 7 0 0 349.48 305.36 13.21 o 8 0 0 440.39 530.54 17.36 o 9 0 0 134.84 110.34 8.71 o 10 0 0 1464.25 1523.06 29.91 o 11 0 0 3462.19 3461.08 54.71 o 12 0 0 572.78 557.35 28.49 o 13 0 0 343.89 351.11 31.71 o 14 0 0 1338.48 1366.78 68.50 o 15 0 0 203.03 264.27 35.94 o -15 1 0 7.72 34.48 22.08 o -14 1 0 32.42 28.33 21.07 o -13 1 0 213.88 218.51 24.76 o -12 1 0 438.51 430.19 25.04 o -11 1 0 5189.79 5268.43 105.10 o -10 1 0 5641.46 5524.84 58.39 o -9 1 0 45.39 34.22 7.19 o -8 1 0 333.47 437.08 15.58 o -7 1 0 1375.86 1483.19 27.23 o -6 1 0 6364.85 6409.80 56.95 o -5 1 0 39452.43 39729.71 203.71 o -4 1 0 4688.48 5193.25 46.20 o -3 1 0 566.67 560.68 10.47 o -2 1 0 429.54 539.75 12.21 o 2 1 0 263.90 211.29 6.78 o 3 1 0 172.41 127.99 4.78 o 4 1 0 2924.58 2138.49 35.35 o 5 1 0 9946.17 9277.36 65.74 o 6 1 0 31018.11 30721.65 172.67 o 7 1 0 2194.68 2492.77 37.22 o 8 1 0 350.98 391.45 15.57 o 9 1 0 234.89 225.90 13.38 o 10 1 0 14.35 17.36 8.36 o 11 1 0 3786.65 3829.49 64.83 o 12 1 0 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645.53 9.59 o -2 6 0 7965.56 9076.45 41.51 o -1 6 0 1338.81 1660.18 14.91 o 0 6 0 6141.30 5411.83 29.78 o 1 6 0 8768.24 9135.45 43.01 o 2 6 0 36414.91 36384.00 162.07 o 3 6 0 13049.51 13284.13 76.05 o 4 6 0 10552.64 10540.82 59.92 o 5 6 0 1949.82 1813.42 21.62 o 6 6 0 217.56 233.61 8.67 o 7 6 0 5398.39 5316.85 47.03 o 8 6 0 4154.68 4191.17 44.73 o 9 6 0 163.65 157.28 10.84 o 10 6 0 306.00 320.89 15.29 o 11 6 0 191.39 208.51 18.09 o 12 6 0 262.54 283.29 21.48 o 13 6 0 549.46 612.38 33.24 o -15 7 0 135.48 101.23 19.21 o -14 7 0 726.27 692.83 34.74 o -13 7 0 325.72 301.86 17.56 o -12 7 0 655.61 729.54 23.69 o -11 7 0 25.55 28.53 8.58 o -10 7 0 239.88 239.55 11.16 o -9 7 0 5702.64 5586.79 81.51 o -8 7 0 6512.96 6352.10 77.92 o -7 7 0 2469.64 2608.23 32.46 o -6 7 0 1008.56 1159.17 22.74 o -5 7 0 666.14 601.61 13.51 o -4 7 0 8396.61 8308.68 44.50 o -3 7 0 25790.44 26634.71 97.40 o -2 7 0 9753.09 10606.98 48.92 o -1 7 0 3378.15 3772.09 25.71 o 0 7 0 461.53 423.53 8.03 o 1 7 0 112.31 171.37 5.84 o 2 7 0 13386.91 13004.43 67.22 o 3 7 0 17743.78 17566.31 77.39 o 4 7 0 1335.23 1370.50 18.44 o 5 7 0 1407.52 1281.54 19.22 o 6 7 0 2144.72 2205.50 26.49 o 7 7 0 3818.04 3655.86 40.08 o 8 7 0 2917.43 2900.11 40.63 o 9 7 0 1333.39 1336.50 28.03 o 10 7 0 2330.46 2282.72 45.83 o 11 7 0 1006.91 1169.44 38.06 o 12 7 0 17.74 13.71 16.24 o -15 8 0 7.66 4.03 19.48 o -14 8 0 204.78 197.91 21.55 o -13 8 0 233.41 199.37 15.41 o -12 8 0 534.84 522.51 16.95 o -11 8 0 330.78 281.32 11.29 o -10 8 0 282.31 319.16 11.92 o -9 8 0 719.22 650.59 16.51 o -8 8 0 1237.10 1111.91 20.26 o -7 8 0 721.90 769.48 17.98 o -6 8 0 1050.38 1050.12 20.23 o -5 8 0 2901.51 2600.28 27.18 o -4 8 0 5161.25 5043.87 32.99 o -3 8 0 12301.18 13053.81 59.72 o -2 8 0 6599.60 6913.77 39.85 o -1 8 0 2240.59 2589.52 21.75 o 0 8 0 4665.69 4901.33 30.06 o 1 8 0 422.77 309.58 7.98 o 2 8 0 8279.21 8367.01 45.39 o 3 8 0 9509.51 9006.06 48.17 o 4 8 0 3698.39 3533.40 30.32 o 5 8 0 1806.22 1894.83 24.35 o 6 8 0 1425.65 1370.57 22.80 o 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