#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108082.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_2108082 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 20.6434 _cell_length_b 20.6434 _cell_length_c 9.0153 _exptl_crystal_F_000 1245.00 _reflns_d_resolution_high 0.7775 _cod_data_source_file ps50562S_296Ksup17.hkl _cod_data_source_block 2S_296K _shelx_title ' cl2py_co_rt_0m_a.res in P-3' _shelx_refln_list_code 4 _shelx_f_calc_maximum 290.40 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -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 0 1 0 34951.54 43525.22 29.82 o -1 2 0 5874.77 6591.55 166.55 o 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4095.93 361.00 o -1 8 0 2303.06 1941.18 184.32 o 0 8 0 7363.99 6802.03 571.85 o -8 9 0 2706.68 2384.53 206.47 o -7 9 0 6716.93 6019.31 455.60 o -6 9 0 5.81 32.23 29.80 o -5 9 0 3806.47 3569.94 261.51 o -4 9 0 2361.52 2122.13 243.11 o -3 9 0 171.76 127.32 50.49 o -2 9 0 106.28 22.12 39.80 o -1 9 0 442.44 496.20 65.55 o 0 9 0 180.80 191.82 45.57 o -9 10 0 1123.68 1001.05 135.85 o -8 10 0 8233.27 7251.11 508.74 o -7 10 0 3709.47 3386.42 289.42 o -6 10 0 99.57 58.47 31.29 o -5 10 0 72.88 35.10 36.99 o -4 10 0 5639.57 5600.58 508.05 o -3 10 0 5823.34 5774.59 393.43 o -2 10 0 173.56 253.03 91.28 o -1 10 0 3852.94 3941.02 396.05 o 0 10 0 241.66 105.51 46.66 o -10 11 0 1172.82 1413.52 216.62 o -9 11 0 1499.09 1671.86 191.91 o -8 11 0 1144.45 1069.71 122.68 o -7 11 0 8634.70 8483.14 601.57 o -6 11 0 1107.91 1206.84 132.49 o -5 11 0 2562.86 2899.87 296.50 o -4 11 0 523.05 764.91 116.18 o -3 11 0 20.97 3.30 28.71 o -2 11 0 438.77 505.69 131.23 o -1 11 0 653.46 424.19 157.10 o 0 11 0 84.84 38.73 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