#------------------------------------------------------------------------------ #$Date: 2019-03-21 05:38:43 +0200 (Thu, 21 Mar 2019) $ #$Revision: 214249 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021547.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_2021547 _cell_angle_alpha 90.000 _cell_angle_beta 96.640 _cell_angle_gamma 90.000 _cell_length_a 24.9136 _cell_length_b 10.2077 _cell_length_c 20.1318 _exptl_crystal_F_000 2672.00 _reflns_d_resolution_high 0.8393 _cod_data_source_file qp3023nw2190_0msup9.hkl _cod_data_source_block nw2190_0m _shelx_title ' nw2190_0m in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 775.75 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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 4 0 0 119049.70 126675.14 4700.12 o 6 0 0 147246.00 145013.19 5472.91 o 10 0 0 127917.63 121069.20 4864.81 o 14 0 0 68000.19 69532.60 3243.21 o 18 0 0 2025.88 2292.17 531.60 o 20 0 0 62336.65 51150.05 9029.67 o 22 0 0 27195.92 26016.58 1601.02 o 24 0 0 11623.32 12206.37 1646.94 o 26 0 0 42637.63 36226.38 2628.77 o 28 0 0 1845.09 342.06 899.48 o 1 1 0 168096.80 160387.11 4129.71 o 3 1 0 186455.64 190187.33 4093.31 o 5 1 0 45820.20 47699.62 1201.69 o 7 1 0 14423.87 14044.81 849.38 o 9 1 0 33413.27 31985.58 1325.70 o 11 1 0 18275.10 18959.32 695.66 o 13 1 0 41580.82 39609.18 1129.10 o 15 1 0 7197.73 7817.72 704.00 o 17 1 0 35299.17 33461.71 2357.87 o 19 1 0 24685.33 25991.32 1857.02 o 21 1 0 26.88 197.21 355.95 o 23 1 0 31350.05 28448.66 2448.24 o 25 1 0 260.01 909.85 722.12 o 27 1 0 5933.72 6121.43 965.96 o 29 1 0 9872.85 11587.55 1300.89 o 0 2 0 7609.89 7727.96 715.79 o 2 2 0 11097.11 10518.73 502.29 o 4 2 0 111501.70 109541.25 2530.35 o 6 2 0 26.00 136.78 199.32 o 8 2 0 8515.83 10302.94 587.52 o 10 2 0 1819.82 2216.90 453.49 o 12 2 0 6590.51 6622.12 503.78 o 14 2 0 220.52 600.72 342.02 o 16 2 0 134.60 245.15 370.91 o 18 2 0 985.66 364.95 398.65 o 20 2 0 53.93 139.93 429.64 o 22 2 0 387.33 45.56 447.12 o 24 2 0 836.66 323.05 473.32 o 26 2 0 4156.52 3598.23 800.82 o 28 2 0 57.23 1273.87 712.62 o 1 3 0 23970.31 21541.38 1060.67 o 3 3 0 4519.85 4570.63 539.82 o 5 3 0 27415.80 27004.27 2072.51 o 7 3 0 107425.62 105887.28 2595.68 o 9 3 0 51776.57 50724.38 1917.39 o 11 3 0 1653.28 1678.51 352.56 o 13 3 0 59707.18 61175.07 1584.82 o 15 3 0 17092.77 17611.37 897.38 o 17 3 0 20191.64 21795.63 1060.50 o 19 3 0 32058.88 31888.62 1356.43 o 21 3 0 1358.82 561.88 819.23 o 23 3 0 13529.78 12912.11 2025.17 o 25 3 0 6100.82 7481.71 862.67 o 27 3 0 9571.34 10309.99 1258.23 o 0 4 0 181522.05 162565.81 6543.43 o 2 4 0 41129.01 36831.69 1505.55 o 4 4 0 83852.74 78651.02 2530.76 o 6 4 0 86869.62 81147.92 1879.63 o 8 4 0 37003.77 35436.80 1251.07 o 10 4 0 209332.50 207812.94 4869.72 o 12 4 0 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