#------------------------------------------------------------------------------ #$Date: 2020-11-12 07:12:31 +0200 (Thu, 12 Nov 2020) $ #$Revision: 259105 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108683.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_2108683 _cell_angle_alpha 104.630 _cell_angle_beta 105.637 _cell_angle_gamma 109.156 _cell_length_a 10.0700 _cell_length_b 12.1435 _cell_length_c 14.1722 _exptl_crystal_F_000 728.00 _reflns_d_resolution_high 0.8406 _cod_data_source_file rm50372sup3.hkl _cod_data_source_block 2 _shelx_title ' mo_20150905LZK28_0m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 252.79 _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 1 0 0 253.55 118.81 6.60 o 2 0 0 2284.58 1992.05 105.61 o 3 0 0 6.47 7.16 7.98 o 4 0 0 370.78 464.42 37.35 o 5 0 0 1203.75 1309.16 118.81 o 6 0 0 39.85 49.09 18.78 o 7 0 0 892.83 854.96 57.77 o 8 0 0 655.21 793.52 67.33 o 9 0 0 1355.24 1583.38 95.95 o 10 0 0 66.46 47.52 63.37 o -10 1 0 0.48 1.32 51.48 o -9 1 0 5.06 0.00 44.88 o -8 1 0 231.30 233.28 34.58 o -7 1 0 39.84 43.97 23.10 o -6 1 0 1813.54 1556.19 126.73 o -5 1 0 593.14 565.38 34.30 o -4 1 0 1958.06 1733.55 65.29 o -3 1 0 260.66 373.30 21.97 o -2 1 0 2939.74 3033.74 82.00 o -1 1 0 9701.34 12379.42 280.08 o 1 1 0 1131.24 1002.67 45.63 o 2 1 0 78.72 45.85 9.77 o 3 1 0 20508.94 20820.15 697.40 o 4 1 0 1170.65 1331.99 84.49 o 5 1 0 2535.45 2427.65 120.13 o 6 1 0 744.32 759.01 36.79 o 7 1 0 419.28 515.65 62.05 o 8 1 0 25.86 20.46 22.95 o 9 1 0 1089.92 1018.11 97.03 o 10 1 0 31.30 10.56 54.12 o -11 2 0 511.47 594.05 124.09 o -10 2 0 506.88 565.01 124.09 o -9 2 0 1065.57 922.76 134.65 o -8 2 0 1056.26 1279.92 74.21 o -7 2 0 1121.37 1083.76 64.36 o -6 2 0 567.83 676.71 112.87 o -5 2 0 1164.07 1194.44 106.93 o -4 2 0 216.28 255.87 22.04 o -3 2 0 44.54 63.38 12.11 o 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969.30 956.01 63.65 o -2 12 0 299.96 377.00 43.02 o -1 12 0 316.84 310.01 40.17 o 0 12 0 209.63 300.18 43.22 o 1 12 0 25.82 0.00 31.68 o -8 13 0 508.71 614.41 170.29 o -7 13 0 312.02 346.04 134.65 o -6 13 0 626.73 710.03 84.49 o -5 13 0 143.64 183.52 116.17 o -4 13 0 59.32 59.26 38.51 o -3 13 0 202.59 164.55 31.68 o -2 13 0 16.77 29.61 23.20 o -1 13 0 2.55 14.43 26.09 o 4 -14 1 36.82 44.72 39.08 o 5 -14 1 14.83 30.08 37.14 o 6 -14 1 80.78 53.22 41.87 o 1 -13 1 6.70 2.99 22.09 o 2 -13 1 45.22 70.35 27.01 o 3 -13 1 685.48 777.64 83.72 o 4 -13 1 163.21 112.60 86.47 o 5 -13 1 1011.44 1158.88 141.25 o 6 -13 1 103.03 131.36 81.85 o 7 -13 1 1026.21 888.40 88.19 o 8 -13 1 5.96 31.14 37.75 o -1 -12 1 493.65 625.52 61.01 o 0 -12 1 80.09 93.60 33.66 o 1 -12 1 975.74 877.65 84.06 o 2 -12 1 251.75 255.41 39.97 o 3 -12 1 361.77 424.74 72.42 o 4 -12 1 66.89 66.26 24.01 o 5 -12 1 57.35 34.53 32.00 o 6 -12 1 0.30 0.00 24.91 o 7 -12 1 1.69 13.54 28.52 o 8 -12 1 554.95 529.97 74.38 o 9 -12 1 21.80 22.02 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