#------------------------------------------------------------------------------ #$Date: 2016-09-06 13:29:20 +0300 (Tue, 06 Sep 2016) $ #$Revision: 186168 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/05/2020584.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_2020584 _cell_angle_alpha 108.730 _cell_angle_beta 99.810 _cell_angle_gamma 94.990 _cell_length_a 9.9950 _cell_length_b 10.2940 _cell_length_c 10.7960 _exptl_crystal_F_000 532.00 _reflns_d_resolution_high 0.8407 _cod_data_source_file lf30371sup2.hkl _cod_data_source_block 1 _shelx_title ' 1 in P1 New: P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 154.10 _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 12488.04 12462.77 199.82 o 3 0 0 691.08 677.86 26.34 o 4 0 0 145.93 140.98 13.25 o 5 0 0 557.63 473.09 27.55 o 6 0 0 6.76 58.93 35.13 o 7 0 0 287.67 303.71 32.51 o 8 0 0 183.35 208.81 23.51 o 9 0 0 355.57 305.32 47.63 o 10 0 0 249.07 255.55 45.96 o 11 0 0 250.18 280.79 50.97 o -11 1 0 0.65 9.53 13.34 o -10 1 0 100.83 111.94 31.44 o -9 1 0 55.82 45.49 19.77 o -8 1 0 65.84 77.16 22.63 o -7 1 0 56.86 60.49 17.86 o -5 1 0 269.49 213.15 24.77 o -4 1 0 1531.33 1418.00 68.83 o -3 1 0 2178.65 2251.32 82.17 o -2 1 0 17943.89 18102.07 285.01 o 1 1 0 3789.38 3643.37 88.36 o 2 1 0 2707.70 2729.07 85.98 o 3 1 0 1209.88 1183.50 36.23 o 4 1 0 244.02 256.47 17.42 o 5 1 0 6360.75 6695.37 138.93 o 6 1 0 218.21 238.59 20.93 o 7 1 0 798.58 812.60 67.16 o 8 1 0 404.76 440.40 34.03 o 9 1 0 128.52 104.66 17.77 o 10 1 0 894.44 931.44 88.83 o 11 1 0 420.24 463.94 66.68 o -11 2 0 1.93 22.63 10.48 o -10 2 0 60.22 56.21 24.05 o -9 2 0 26.27 58.35 23.34 o -6 2 0 0.72 -1.19 5.95 o -5 2 0 32.51 34.53 12.38 o -4 2 0 311.06 322.23 31.91 o -3 2 0 2256.46 2605.71 96.22 o -2 2 0 388.55 481.56 31.68 o -1 2 0 122.26 122.41 14.05 o 0 2 0 3352.17 3313.28 93.12 o 1 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55.49 o -5 10 0 106.16 101.22 28.34 o -4 10 0 858.77 852.61 85.98 o -3 10 0 140.75 208.63 40.25 o -2 10 0 906.18 934.78 88.12 o -1 10 0 115.42 96.93 28.34 o 0 10 0 18.23 16.19 14.77 o 1 10 0 575.70 484.48 43.09 o 2 10 0 27.74 32.63 17.62 o 3 10 0 5.87 7.38 9.05 o 4 10 0 22.32 3.10 14.05 o -5 11 0 23.64 23.82 16.43 o -4 11 0 374.83 382.01 59.78 o -3 11 0 466.88 470.37 66.21 o -2 11 0 63.28 25.96 15.96 o -1 11 0 459.95 481.56 66.68 o 0 11 0 22.67 44.54 21.20 o 1 11 0 154.64 131.46 34.77 o -2 -11 1 310.47 285.79 50.97 o -1 -11 1 30.31 13.81 11.19 o 0 -11 1 315.52 295.79 51.44 o 1 -11 1 224.04 198.63 41.44 o 2 -11 1 14.15 26.91 16.67 o 3 -11 1 44.95 89.55 29.06 o 4 -11 1 82.17 87.40 29.06 o 5 -11 1 3.00 11.19 10.48 o -4 -10 1 109.12 118.13 29.53 o -3 -10 1 7.29 2.09 4.75 o -2 -10 1 624.16 581.11 69.30 o -1 -10 1 151.20 141.23 33.10 o 0 -10 1 445.35 461.32 59.54 o 1 -10 1 201.70 236.02 42.87 o 2 -10 1 31.21 37.39 17.15 o 3 -10 1 135.23 143.13 33.58 o 4 -10 1 6.45 14.05 12.86 o 5 -10 1 386.07 371.05 57.16 o 6 -10 1 41.16 42.39 17.15 o 7 -10 1 86.81 90.26 30.96 o -6 -9 1 53.12 58.35 20.96 o -5 -9 1 56.72 87.88 24.53 o -4 -9 1 177.95 216.96 39.30 o -3 -9 1 124.64 91.45 25.48 o -2 -9 1 1306.30 1176.80 60.67 o -1 -9 1 1.98 4.29 11.43 o 0 -9 1 506.56 612.31 64.54 o 1 -9 1 8.41 -2.86 9.76 o 2 -9 1 339.06 312.94 46.44 o 3 -9 1 2349.63 2211.31 132.42 o 4 -9 1 140.88 135.04 31.68 o 5 -9 1 1336.16 1507.55 110.98 o 6 -9 1 37.12 20.24 13.81 o 7 -9 1 4.47 -5.48 10.96 o 8 -9 1 245.81 300.56 53.35 o -7 -8 1 156.00 157.90 36.44 o -6 -8 1 293.16 297.94 46.92 o -5 -8 1 6.04 3.81 9.29 o -4 -8 1 856.18 854.28 75.02 o -3 -8 1 12.81 27.86 13.81 o -2 -8 1 1571.70 1698.08 102.65 o -1 -8 1 124.54 106.70 25.96 o 0 -8 1 14.79 51.92 17.15 o 1 -8 1 2227.97 2300.39 124.08 o 2 -8 1 1032.56 1202.47 87.40 o 3 -8 1 1615.14 1740.23 108.84 o 4 -8 1 183.76 232.21 38.11 o 5 -8 1 52.76 56.44 20.01 o 6 -8 1 2.78 7.86 10.24 o 7 -8 1 8.89 6.67 10.00 o 8 -8 1 393.56 402.73 60.02 o 9 -8 1 379.84 406.06 60.97 o 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