| R1 (Fo>4σ(Fo)) |
%(_refine_ls_R_factor_gt)s |
R1(all data) |
%(_refine_ls_R_factor_all)s |
| wR2 |
%(_refine_ls_wR_factor_ref)s |
GooF |
%(_refine_ls_goodness_of_fit_ref)s |
| Highest peak |
%(_refine_diff_density_max)s |
Deepest hole |
%(_refine_diff_density_min)s |
| Params |
%(_refine_ls_number_parameters)s |
Refs(total) |
%(_diffrn_reflns_number)s |
| Refs(uni) |
%(_reflns_number_total)s |
Refs (Fo>4σ(Fo)) |
%(_reflns_number_gt)s |
| F000 |
%(_exptl_crystal_F_000)s |
| ρ/g*cm-3 |
%(_exptl_crystal_density_diffrn)s |
μ/mm-1 |
%(_exptl_absorpt_coefficient_mu)s |
| Mean Shift |
%(_refine_ls_shift/su_mean)s |
Max Shift |
%(_refine_ls_shift/su_max)s |