#------------------------------------------------------------------------------ #$Date: 2021-08-07 07:31:17 +0300 (Sat, 07 Aug 2021) $ #$Revision: 267990 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243887.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_2243887 _cell_angle_alpha 90.000 _cell_angle_beta 115.861 _cell_angle_gamma 90.000 _cell_length_a 19.2590 _cell_length_b 12.5734 _cell_length_c 21.6767 _exptl_crystal_F_000 3592.00 _reflns_d_resolution_high 0.7000 _cod_data_source_file jq2007Isup3.hkl _cod_data_source_block I _shelx_title ' jq2007 in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1279.40 _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 446923.29 377965.83 9442.21 o 3 0 0 16598.41 16230.76 707.05 o 4 0 0 79629.57 77721.47 2349.36 o 5 0 0 1636874.58 1669185.75 40932.65 o 6 0 0 154518.21 170210.37 4707.68 o 7 0 0 1894.69 1986.89 384.85 o 8 0 0 521312.39 566098.50 14369.16 o 9 0 0 6817.53 6967.55 630.97 o 10 0 0 279011.01 281512.09 7549.29 o 11 0 0 50050.00 54460.52 2009.27 o 12 0 0 44394.63 43554.99 1776.57 o 13 0 0 103853.51 97536.68 3136.96 o 2 1 0 114477.87 111606.02 2823.71 o 3 1 0 925.20 1123.22 147.67 o 4 1 0 172149.64 172210.69 4407.86 o 5 1 0 416296.06 414029.70 10386.43 o 6 1 0 298206.11 307502.78 7934.14 o 7 1 0 290060.22 288636.26 7688.02 o 8 1 0 54.02 -26.85 317.72 o 9 1 0 50714.02 49323.24 1821.32 o 10 1 0 259682.22 251820.60 6842.25 o 11 1 0 132913.07 134840.12 3987.21 o 12 1 0 218368.93 209697.60 5830.90 o 13 1 0 983.99 1530.44 478.82 o 14 1 0 390.69 881.57 465.40 o 15 1 0 19841.20 18275.82 1082.95 o 16 1 0 1561.73 2080.87 604.12 o 17 1 0 56681.25 53927.99 2098.77 o 18 1 0 42951.11 41523.35 1807.89 o 19 1 0 9463.44 8864.94 944.22 o 20 1 0 2706.51 930.80 778.65 o 24 1 0 2702.23 3293.59 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