#------------------------------------------------------------------------------ #$Date: 2020-08-29 08:08:29 +0300 (Sat, 29 Aug 2020) $ #$Revision: 255744 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243564.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_2243564 _audit_creation_date 2020-4-7 _audit_creation_method 'Tonto 20.01.31 github v. d26b49d' _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.710730 _diffrn_reflns_number 51391 _diffrn_reflns_theta_max 34.982174 _reflns_d_resolution_high 9.027686 _reflns_d_resolution_low 0.619835 _reflns_limit_h_max 11 _reflns_limit_h_min -12 _reflns_limit_k_max 19 _reflns_limit_k_min 0 _reflns_limit_l_max 21 _reflns_limit_l_min -10 _reflns_number_gt 4984 _reflns_number_total 4984 _reflns_threshold_expression 'F>0 & F/u(F)>3.0 & |F_calc|>10^-3' _cod_data_source_file wm55611HARsup4.hkl _cod_data_source_block 1HAR _qcr_software Tonto _qcr_software_version '20.01.31 v. d26b49d' _qcr_software_platform Windows _qcr_software_build_date '2020-01-31 13:13' _qcr_software_website https://github.com/dylan-jayatilaka/tonto loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_group _refln_stl _refln_d_spacing _refln_A_calc _refln_B_calc _refln_phase_calc _refln_F_calc _refln_F_meas _refln_F_sigma _refln_delta_f_on_sigma -12 0 -4 0 0.766949 0.651934 -2.581195 0.018184 179.596367 2.581259 2.799118 0.594846 0.366244 -12 0 -2 0 0.755757 0.661589 -3.863641 -0.038593 180.572298 3.863833 4.242158 0.291645 1.297207 -12 0 0 0 0.751872 0.665007 -1.483960 0.026053 178.994211 1.484188 1.559441 0.312113 0.241108 -12 0 4 0 0.766263 0.652518 12.667691 0.083880 0.379384 12.667969 12.959924 0.253450 1.151922 -12 0 6 0 0.784131 0.637648 -5.652605 -0.075631 180.766562 5.653111 6.439689 0.276937 2.840279 -12 1 -7 0 0.797759 0.626756 -2.899762 -0.077569 181.532310 2.900799 2.765936 0.218581 -0.616993 -12 1 -6 0 0.786199 0.635971 7.535930 0.077855 0.591915 7.536332 7.876806 0.185405 1.836377 -12 1 -5 0 0.776271 0.644105 8.294222 0.105461 0.728479 8.294893 8.292425 0.182122 -0.013550 -12 1 -4 0 0.768037 0.651011 -7.798153 -0.074902 180.550312 7.798512 7.876689 0.225082 0.347327 -12 1 -3 0 0.761551 0.656555 -8.574260 -0.104489 180.698194 8.574897 8.238848 0.219973 -1.527680 -12 1 -1 0 0.753997 0.663133 0.793413 0.046432 3.349209 0.794771 0.758576 0.187712 -0.192817 -12 1 0 0 0.752982 0.664027 -3.282796 -0.067334 181.175039 3.283486 3.341041 0.222780 0.258348 -12 1 1 0 0.753822 0.663286 -0.438348 -0.034959 184.559787 0.439740 0.494328 0.153327 0.356026 -12 1 2 0 0.756513 0.660927 -1.906701 0.045417 178.635502 1.907242 1.945907 0.212622 0.181851 -12 1 3 0 0.761033 0.657002 1.925979 0.060120 1.787925 1.926917 1.412061 0.305924 -1.682958 -12 1 4 0 0.767351 0.651592 -1.608586 -0.042989 181.530835 1.609160 1.568135 0.197800 -0.207410 -12 1 5 0 0.775423 0.644809 -4.037331 -0.089897 181.275558 4.038332 4.214167 0.189468 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180.674681 1.853755 2.141641 0.212795 1.352878 -12 2 4 0 0.770607 0.648839 5.650983 0.029798 0.302125 5.651062 5.514803 0.192644 -0.707310 -12 2 5 0 0.778646 0.642141 -2.883101 -0.048932 180.972328 2.883517 2.696107 0.194948 -0.961329 -12 2 6 0 0.788377 0.634214 -6.391079 -0.036615 180.328250 6.391184 6.401648 0.206938 0.050566 -12 2 7 0 0.799741 0.625203 2.924510 0.050494 0.989157 2.924946 2.769679 0.227656 -0.682023 -12 3 -6 0 0.794646 0.629211 14.337863 0.138639 0.553999 14.338534 14.210187 0.187057 -0.686140 -12 3 -5 0 0.784825 0.637085 -4.071325 -0.030609 180.430753 4.071440 4.908707 0.243261 3.441849 -12 3 -4 0 0.776681 0.643765 -17.677579 -0.150759 180.488622 17.678221 18.154431 0.187388 2.541297 -12 3 -3 0 0.770269 0.649124 1.129570 0.014237 0.722118 1.129660 1.029623 0.290714 -0.344108 -12 3 -2 0 0.765631 0.653056 13.203232 0.139200 0.604038 13.203965 13.544663 0.212863 1.600547 -12 3 -1 0 0.762801 0.655479 -6.195793 -0.037906 180.350530 6.195909 6.089634 0.230299 -0.461467 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2.367072 0.019555 0.473323 2.367153 2.389171 0.178091 0.123633 -11 3 -3 0 0.709217 0.705003 11.946128 0.140701 0.674797 11.946957 11.902012 0.160168 -0.280610 -11 3 -1 0 0.701114 0.713151 -10.883408 -0.142013 180.747585 10.884334 10.852916 0.179035 -0.175489 -11 3 0 0 0.700030 0.714255 5.191374 0.035438 0.391117 5.191495 5.220558 0.197167 0.147404 -11 3 1 0 0.700942 0.713326 12.369009 0.150474 0.696993 12.369924 12.330599 0.183218 -0.214633 -11 3 2 0 0.703842 0.710386 1.800360 -0.014489 359.538893 1.800418 1.981621 0.205991 0.879664 -11 3 3 0 0.708707 0.705511 -7.110881 -0.134024 181.079765 7.112144 7.244295 0.252902 0.522535 -11 3 4 0 0.715495 0.698817 -12.601832 0.005296 179.975923 12.601833 13.628069 0.151635 6.767801 -11 3 5 0 0.724153 0.690462 10.164305 0.145278 0.818873 10.165343 10.388551 0.154377 1.445867 -11 3 6 0 0.734614 0.680630 -2.574817 -0.027387 180.609412 2.574963 2.720393 0.167767 0.866860 -11 3 7 0 0.746803 0.669520 -3.518493 -0.109136 181.776626 3.520185 3.416143 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