#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108081.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_2108081 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 20.3340 _cell_length_b 20.3340 _cell_length_c 8.9450 _exptl_crystal_F_000 1245.00 _reflns_d_resolution_high 0.7963 _cod_data_source_file ps50562S_200Ksup16.hkl _cod_data_source_block 2S_200K _shelx_title ' Cl2Py_Co_200K_0m in P-3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 293.47 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -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 0 1 0 35221.09 19789.07 3.28 o -1 2 0 6237.64 6800.31 136.39 o 0 2 0 2401.79 9.57 396.54 o -2 3 0 3441.40 4218.28 39.96 o -1 3 0 723.05 329.52 56.14 o 0 3 0 172.41 88.71 23.74 o -3 4 0 17684.63 16655.15 364.68 o -2 4 0 2902.68 2575.69 77.65 o -1 4 0 687.16 660.98 27.81 o 0 4 0 9936.28 7526.41 184.24 o -4 5 0 11341.64 10754.44 250.17 o -3 5 0 86126.12 75602.39 1733.17 o -2 5 0 2846.08 2655.05 86.85 o -1 5 0 23412.48 20963.04 543.85 o 0 5 0 20439.94 19352.16 455.71 o -5 6 0 16214.34 15216.37 368.17 o -4 6 0 10.54 7.53 13.31 o -3 6 0 14571.39 13554.63 337.99 o -2 6 0 1372.97 1365.10 49.51 o -1 6 0 27266.88 24460.84 594.85 o 0 6 0 989.01 1101.75 47.44 o -6 7 0 6392.82 5463.30 147.94 o -5 7 0 3366.87 3489.38 98.68 o -4 7 0 1294.43 898.72 44.01 o -3 7 0 2664.38 2701.68 82.49 o -2 7 0 765.58 902.17 44.66 o -1 7 0 3908.77 3471.20 103.99 o 0 7 0 552.20 679.96 41.55 o -7 8 0 2130.06 1819.02 68.64 o -6 8 0 4673.65 4515.99 127.51 o -5 8 0 9656.44 8269.13 205.92 o -4 8 0 9220.29 8283.50 229.32 o -3 8 0 4067.90 3494.07 102.45 o -2 8 0 6458.94 5767.14 161.18 o -1 8 0 785.96 1076.77 55.82 o 0 8 0 7679.13 7371.32 198.69 o -8 9 0 612.55 786.78 40.98 o -7 9 0 248.27 187.12 27.31 o -6 9 0 215.29 207.62 23.57 o -5 9 0 2442.38 2632.63 93.62 o -4 9 0 4931.60 4522.62 121.12 o -3 9 0 10.43 14.76 17.54 o -2 9 0 8107.32 7524.59 192.78 o -1 9 0 3182.59 2781.38 96.38 o 0 9 0 261.02 242.13 26.63 o -9 10 0 4446.08 4428.66 136.76 o -8 10 0 233.60 352.14 30.03 o -7 10 0 8394.81 7610.85 196.96 o -6 10 0 7158.04 6595.35 180.44 o -5 10 0 106.79 149.86 24.81 o -4 10 0 87.34 57.33 21.69 o -3 10 0 5748.38 5305.29 145.72 o -2 10 0 11271.04 10696.75 278.31 o -1 10 0 1695.43 1537.76 75.67 o 0 10 0 404.90 243.78 32.19 o -10 11 0 898.45 838.91 51.61 o -9 11 0 677.64 693.98 47.14 o -8 11 0 129.12 97.59 25.25 o -7 11 0 1073.12 1217.82 58.42 o -6 11 0 3863.97 3848.47 125.79 o -5 11 0 1226.22 1162.08 68.71 o -4 11 0 11214.57 11430.28 293.65 o -3 11 0 1213.16 1168.97 55.87 o -2 11 0 1910.82 2109.22 81.76 o -1 11 0 1795.34 1868.72 82.14 o 0 11 0 177.78 142.20 27.39 o -11 12 0 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366.64 69.63 o -2 18 0 613.74 538.71 84.50 o -1 18 0 0.21 40.58 48.39 o 0 18 0 1094.82 1057.91 121.06 o -18 19 0 76.66 71.15 53.00 o -17 19 0 230.91 260.97 66.54 o -16 19 0 79.41 152.73 63.38 o -15 19 0 35.00 72.87 49.57 o -14 19 0 17.12 24.62 44.77 o -13 19 0 227.83 143.61 52.39 o -12 19 0 433.46 371.13 90.33 o -11 19 0 19.07 69.79 46.65 o -10 19 0 85.33 51.19 49.19 o -9 19 0 3.72 20.67 40.69 o -8 19 0 31.54 57.85 42.97 o -7 19 0 16.77 31.10 43.75 o -6 19 0 87.52 90.60 47.34 o -5 19 0 59.18 64.88 48.44 o -4 19 0 270.04 224.35 62.50 o -3 19 0 449.24 417.90 76.23 o -2 19 0 436.82 524.37 79.63 o -1 19 0 41.54 82.13 56.75 o 0 19 0 0.13 76.61 67.61 o -19 20 0 233.08 199.19 65.41 o -18 20 0 685.04 703.71 99.14 o -17 20 0 63.74 94.98 56.82 o -16 20 0 556.14 568.06 89.02 o -15 20 0 64.18 147.95 61.49 o -14 20 0 1188.54 1160.05 112.34 o -13 20 0 211.77 461.82 144.39 o -12 20 0 713.48 1123.78 112.79 o -11 20 0 40.39 166.35 61.24 o -10 20 0 318.70 406.53 70.32 o -9 20 0 0.66 24.10 46.82 o -8 20 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