#------------------------------------------------------------------------------ #$Date: 2016-09-14 04:34:27 +0300 (Wed, 14 Sep 2016) $ #$Revision: 186547 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/40/1544072.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_1544072 _cell_angle_alpha 90.000 _cell_angle_beta 127.366 _cell_angle_gamma 90.000 _cell_length_a 21.4745 _cell_length_b 7.4295 _cell_length_c 26.1730 _exptl_crystal_F_000 1904.00 _reflns_d_resolution_high 0.7885 _cod_data_source_file wm4024Isup2.hkl _cod_data_source_block I _shelx_title ' dsv1 in P 1 21/n 1 New: P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 555.07 _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 27050.35 32192.12 612.78 o 3 0 0 386.44 359.44 329.33 o 4 0 0 18257.94 18716.96 810.26 o 5 0 0 5643.05 4475.28 220.69 o 6 0 0 18683.75 14650.25 373.77 o 7 0 0 1039.58 1266.31 267.80 o 8 0 0 86411.65 85340.30 708.63 o 9 0 0 876.74 596.72 185.49 o 10 0 0 85621.60 86167.02 2113.43 o 11 0 0 10.11 -52.79 159.68 o 12 0 0 51825.48 54205.62 386.65 o 13 0 0 55.87 381.30 172.30 o 14 0 0 759.64 819.51 253.33 o 15 0 0 3722.38 3899.65 237.82 o 16 0 0 365.27 365.69 188.75 o 17 0 0 750.06 691.25 192.52 o 18 0 0 2577.74 2575.75 368.87 o 19 0 0 9.34 112.30 203.90 o 20 0 0 14973.05 14626.62 323.42 o 21 0 0 9.48 221.08 229.28 o 1 1 0 5055.53 4981.63 201.14 o 2 1 0 3496.89 3397.66 188.19 o 3 1 0 16631.73 15414.12 254.89 o 4 1 0 9810.87 9776.78 247.05 o 5 1 0 47111.59 42640.45 825.32 o 6 1 0 8544.75 7912.47 177.85 o 7 1 0 33944.98 35158.97 533.13 o 8 1 0 32623.91 31715.78 488.43 o 9 1 0 3953.84 3732.32 124.78 o 10 1 0 1337.10 1156.15 109.52 o 11 1 0 12.74 89.70 97.97 o 12 1 0 85.25 94.98 104.41 o 13 1 0 327.34 254.43 118.54 o 14 1 0 4085.78 4113.15 137.69 o 15 1 0 29781.27 30909.39 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