#------------------------------------------------------------------------------ #$Date: 2020-11-12 07:12:31 +0200 (Thu, 12 Nov 2020) $ #$Revision: 259105 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108688.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_2108688 _cell_angle_alpha 68.654 _cell_angle_beta 79.061 _cell_angle_gamma 75.130 _cell_length_a 12.0683 _cell_length_b 14.5229 _cell_length_c 14.6624 _exptl_crystal_F_000 964.00 _reflns_d_resolution_high 0.8406 _cod_data_source_file rm50377sup8.hkl _cod_data_source_block 7 _shelx_title ' 20150303lz2_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 294.52 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 6885.64 6763.79 131.09 o 3 0 0 63.26 84.88 17.59 o 4 0 0 555.13 512.67 19.15 o 5 0 0 849.57 974.57 35.71 o 6 0 0 1972.16 1732.81 36.72 o 7 0 0 5067.82 5551.23 98.35 o 8 0 0 5811.62 5966.53 106.07 o 9 0 0 3166.27 3348.22 69.03 o 10 0 0 225.70 211.15 24.27 o 11 0 0 806.38 831.67 41.54 o 12 0 0 19.04 0.00 27.12 o 13 0 0 27.89 0.90 31.64 o -13 1 0 347.87 450.23 51.53 o -12 1 0 262.71 215.17 37.07 o -11 1 0 707.12 694.33 57.86 o -10 1 0 162.61 162.58 21.99 o -9 1 0 23.32 53.50 18.21 o -8 1 0 2501.08 2479.05 56.90 o -7 1 0 4798.87 5282.78 89.18 o -6 1 0 3892.23 3727.52 101.26 o -5 1 0 34.62 30.74 9.59 o -4 1 0 3912.37 3561.50 62.38 o -3 1 0 9495.26 9625.05 160.56 o -2 1 0 5372.04 6752.35 137.87 o -1 1 0 2428.75 2643.79 25.31 o 0 1 0 8308.53 1.81 0.64 o 1 1 0 31643.36 28112.37 385.14 o 2 1 0 2563.58 2733.03 31.64 o 3 1 0 115.94 155.50 18.08 o 4 1 0 221.64 240.57 19.44 o 5 1 0 1573.31 1490.79 37.97 o 6 1 0 2738.72 2991.03 58.01 o 7 1 0 1912.17 1931.72 65.09 o 8 1 0 107.74 114.13 18.24 o 9 1 0 419.17 435.77 27.76 o 10 1 0 882.09 844.57 41.96 o 11 1 0 122.97 161.48 23.96 o 12 1 0 251.63 243.35 27.03 o 13 1 0 1.85 0.00 27.12 o -13 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1529.86 1427.54 72.33 o -7 7 0 2129.87 2321.68 93.12 o -6 7 0 489.49 427.63 44.30 o -5 7 0 11.41 0.90 13.48 o -4 7 0 33.83 30.74 13.54 o -3 7 0 281.03 266.40 17.73 o -2 7 0 2612.89 2933.19 41.66 o -1 7 0 373.27 365.67 14.80 o 0 7 0 151.29 94.06 22.17 o 1 7 0 765.17 778.97 21.28 o 2 7 0 400.74 473.97 43.74 o 3 7 0 2565.12 2600.44 53.41 o 4 7 0 170.86 205.23 26.22 o 5 7 0 18.19 2.71 19.89 o 6 7 0 15.34 0.90 25.31 o 7 7 0 111.94 113.01 34.36 o 8 7 0 8.95 23.51 31.64 o 9 7 0 360.14 336.32 47.01 o 10 7 0 9.83 33.45 38.88 o 11 7 0 164.49 171.60 33.45 o 12 7 0 17.58 8.99 19.30 o 13 7 0 82.61 94.93 27.23 o -10 8 0 618.55 526.17 59.67 o -9 8 0 349.30 335.41 49.72 o -8 8 0 315.71 248.62 42.49 o -7 8 0 305.78 310.10 45.20 o -6 8 0 8.10 0.90 28.03 o -5 8 0 8.71 0.00 30.74 o -4 8 0 360.05 331.79 24.06 o -3 8 0 0.36 3.32 7.80 o -2 8 0 108.63 125.03 10.54 o -1 8 0 258.20 332.92 12.58 o 0 8 0 396.86 371.79 45.13 o 1 8 0 1315.42 1483.55 33.00 o 2 8 0 3348.71 3905.84 68.24 o 3 8 0 687.02 717.98 29.22 o 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