#------------------------------------------------------------------------------ #$Date: 2019-04-03 05:43:29 +0300 (Wed, 03 Apr 2019) $ #$Revision: 214468 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/28/2242888.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_2242888 _cell_angle_alpha 90.000 _cell_angle_beta 94.315 _cell_angle_gamma 90.000 _cell_length_a 15.9049 _cell_length_b 9.9047 _cell_length_c 22.6734 _exptl_crystal_F_000 1856.00 _reflns_d_resolution_high 0.7697 _cod_data_source_file wm5491Isup2.hkl _cod_data_source_block I _shelx_title ' No_808_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 534.84 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 2 0 0 19913.87 22966.03 208.12 o 3 0 0 2808.41 2802.98 101.00 o 4 0 0 162902.14 170209.72 4008.79 o 5 0 0 57422.81 63622.65 490.95 o 6 0 0 89329.15 95461.70 2800.82 o 7 0 0 7695.16 6776.75 182.71 o 8 0 0 60702.78 63680.52 802.75 o 9 0 0 437.37 257.25 71.97 o 10 0 0 53680.78 54429.02 1238.74 o 11 0 0 16121.22 15409.94 155.19 o 12 0 0 4691.53 4594.54 126.06 o 13 0 0 1055.01 1141.96 116.44 o 14 0 0 5407.54 5523.22 81.61 o 15 0 0 865.92 987.46 51.86 o 16 0 0 891.94 786.58 64.08 o 17 0 0 1.17 183.72 54.41 o 18 0 0 19.74 127.27 95.71 o 19 0 0 6004.85 6159.87 106.49 o 20 0 0 1586.90 1926.23 97.09 o 1 1 0 1635.39 1925.80 56.46 o 2 1 0 7579.45 8361.11 78.67 o 3 1 0 400.19 603.28 68.09 o 4 1 0 1333.77 1413.70 73.01 o 5 1 0 1149.74 1084.06 60.14 o 6 1 0 25478.12 24812.45 481.81 o 7 1 0 25955.20 26201.64 181.77 o 8 1 0 21740.91 21633.90 271.99 o 9 1 0 3119.15 3127.73 50.62 o 10 1 0 4897.29 4751.58 76.44 o 11 1 0 535.64 526.71 66.13 o 12 1 0 515.80 600.17 68.58 o 13 1 0 371.51 381.32 46.79 o 14 1 0 1077.49 983.17 69.28 o 15 1 0 325.90 280.10 44.92 o 16 1 0 2244.87 2438.52 89.39 o 17 1 0 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89.68 66.18 o 1 1 28 1.39 -106.79 71.19 o 2 1 28 214.35 488.23 70.25 o 3 1 28 359.61 323.71 78.45 o 4 1 28 104.73 291.32 47.55 o -7 2 28 1575.24 1426.24 40.25 o -6 2 28 166.89 399.67 46.99 o -5 2 28 219.43 473.60 79.87 o -4 2 28 43.60 150.12 48.84 o -3 2 28 2734.58 2585.55 39.06 o -2 2 28 38.54 52.27 77.73 o -1 2 28 1829.97 2079.00 86.84 o 0 2 28 95.37 209.81 88.59 o 1 2 28 370.96 431.96 44.99 o 2 2 28 8.63 -89.63 59.75 o 3 2 28 2315.87 2227.98 95.95 o 4 2 28 90.14 335.83 44.99 o -5 3 28 41.49 45.23 85.77 o -4 3 28 0.06 137.77 64.41 o -3 3 28 1197.26 1214.32 45.80 o -2 3 28 471.43 566.29 99.77 o -1 3 28 2.57 231.75 95.45 o 0 3 28 160.22 218.79 66.00 o 1 3 28 10.25 154.87 79.53 o 2 3 28 18.81 57.03 56.03 o -4 1 29 104.66 186.81 48.24 o -3 1 29 418.43 549.88 58.85 o -2 1 29 858.62 978.52 84.72 o -1 1 29 208.23 409.05 46.53 o 0 1 29 0.22 146.77 60.50 o 1 1 29 3.05 51.75 52.94 o -3 2 29 36.23 288.31 86.27 o -2 2 29 162.50 244.84 34.45 o -1 2 29 347.18 587.53 92.37 o 0 2 29 432.41 669.29 94.85 o