#------------------------------------------------------------------------------ #$Date: 2020-09-24 08:15:51 +0300 (Thu, 24 Sep 2020) $ #$Revision: 256712 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300671.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_2300671 _cell_angle_alpha 98.635 _cell_angle_beta 101.650 _cell_angle_gamma 97.962 _cell_length_a 10.6656 _cell_length_b 12.4599 _cell_length_c 14.7567 _exptl_crystal_F_000 938.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file oc5003Isup2.hkl _cod_data_source_block I _shelx_title ' exp_7601 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 341.12 _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 2 0 0 278.79 308.12 12.47 o 3 0 0 419.69 377.58 10.20 o 4 0 0 237.69 190.80 7.77 o 5 0 0 583.68 530.62 12.90 o 6 0 0 1395.02 1322.85 26.49 o 7 0 0 144.97 221.84 9.57 o 8 0 0 526.51 509.70 16.99 o 9 0 0 287.58 366.76 15.13 o 10 0 0 388.94 405.52 18.75 o 11 0 0 48.94 30.02 25.24 o 12 0 0 30.70 78.09 17.64 o -12 1 0 17.74 69.57 22.80 o -11 1 0 28.77 14.40 12.40 o -10 1 0 67.85 83.48 10.48 o -9 1 0 460.75 504.03 18.79 o -8 1 0 1458.20 1316.97 29.41 o -7 1 0 1205.56 1202.47 23.16 o -6 1 0 0.06 63.73 5.72 o -5 1 0 3221.25 3237.87 39.18 o -4 1 0 1526.69 1393.36 19.70 o -3 1 0 1586.71 1755.21 24.74 o -2 1 0 215.55 288.20 5.91 o -1 1 0 502.33 530.56 18.00 o 1 1 0 8295.87 8234.82 173.48 o 2 1 0 1431.53 1457.79 20.26 o 3 1 0 940.37 1095.29 19.47 o 4 1 0 3924.50 3681.66 38.65 o 5 1 0 184.93 139.79 8.90 o 6 1 0 2341.37 2068.29 46.27 o 7 1 0 660.42 696.35 18.31 o 8 1 0 598.29 558.83 24.70 o 9 1 0 290.88 244.46 14.62 o 10 1 0 131.26 151.47 13.26 o 11 1 0 615.73 680.34 68.37 o 12 1 0 6.13 6.07 12.93 o -13 2 0 26.60 32.20 16.62 o -12 2 0 288.17 285.93 27.12 o -11 2 0 54.79 88.10 24.42 o -10 2 0 9.40 25.76 14.60 o -9 2 0 441.41 395.18 21.64 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