#------------------------------------------------------------------------------ #$Date: 2019-07-26 07:52:10 +0300 (Fri, 26 Jul 2019) $ #$Revision: 217273 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/17/2021728.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_2021728 _cell_angle_alpha 83.241 _cell_angle_beta 70.219 _cell_angle_gamma 79.242 _cell_length_a 10.4471 _cell_length_b 10.9855 _cell_length_c 11.6347 _exptl_crystal_F_000 657.21 _reflns_d_resolution_high 0.7680 _cod_data_source_file sk3734Isup2.hkl _cod_data_source_block I _shelx_title ' mo_180410k_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 197.90 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 1 0 0 6342.99 5845.06 77.54 o 2 0 0 1735.83 1830.00 16.31 o 3 0 0 10566.18 10299.00 120.19 o 4 0 0 1103.29 1023.92 11.50 o 5 0 0 197.67 195.49 4.99 o 6 0 0 109.25 95.43 4.10 o 7 0 0 1686.69 1739.74 21.47 o 8 0 0 2384.02 2396.93 26.92 o 9 0 0 1434.73 1420.99 22.15 o 10 0 0 665.37 664.32 23.79 o 11 0 0 8.44 15.59 11.45 o 12 0 0 18.52 13.11 18.20 o -12 1 0 58.53 59.45 18.00 o -11 1 0 224.32 236.14 20.50 o -10 1 0 1.02 -5.73 9.19 o -9 1 0 16.22 16.72 6.48 o -8 1 0 7.48 15.99 4.78 o -7 1 0 1334.58 1364.68 16.11 o -6 1 0 5234.66 5312.04 45.12 o -5 1 0 5840.03 5850.55 48.29 o -4 1 0 48.93 22.82 1.90 o -3 1 0 721.94 786.49 8.96 o -2 1 0 603.63 583.73 5.76 o -1 1 0 1893.60 1918.76 19.99 o 0 1 0 1131.40 1255.15 31.86 o 2 1 0 6086.70 5837.07 48.38 o 3 1 0 17327.96 16448.61 226.30 o 4 1 0 4734.69 5000.35 43.51 o 5 1 0 250.48 258.88 5.71 o 6 1 0 202.20 201.96 6.19 o 7 1 0 838.54 880.93 14.18 o 8 1 0 401.42 370.86 10.95 o 9 1 0 557.16 558.07 14.16 o 10 1 0 1035.82 1031.55 26.21 o 11 1 0 1172.01 1149.51 30.62 o 12 1 0 102.01 42.10 17.19 o -12 2 0 238.95 195.18 22.41 o -11 2 0 765.09 730.61 25.81 o -10 2 0 1061.33 1021.01 25.95 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