[RSC Journal Format]

Experimental

Single crystals of %$xf.getFormula(html)% [%$spy.GetParam(snum.report.title)%] were [%$spy.get_cif_item('_exptl_crystal_recrystallization_method')]%. A suitable crystal was selected and [%$spy.GetParam(snum.report.crystal_mounting_method)%] on a %$spy.GetParam(snum.report.diffractometer)% diffractometer. The crystal was kept at %27% K during data collection. Using Olex2 [1], the structure was solved with the %$spy.GetParam(snum.solution.program)% [2] structure solution program using %$spy.GetParam(snum.solution.method)% and refined with the %$spy.GetParam(snum.refinement.program)% [3] refinement package using %$spy.GetParam(snum.refinement.method)% minimisation.

1. %_computing_molecular_graphics%
2. %_computing_structure_solution%
3. %_computing_structure_refinement%

Crystal structure determination of [%$spy.GetParam(snum.report.title)%]

Crystal Data. %$xf.getFormula(html)%, M =%3%, %1%, %$spy.getCellHTML()% V = %11% Å³, T = %27%, space group %$sg(%%h)% (no. %75%), Z = %16%, μ(%$spy.makeSpecialCifCharacter(\%76\%)%) = %19%, %29% reflections measured, %37% unique (R_int = %_diffrn_reflns_av_R_equivalents%) which were used in all calculations. The final wR₂ was %54% (all data) and R₁ was %_refine_ls_R_factor_gt% (%_reflns_threshold_expression%).

This report has been created with Olex2, compiled on %$GetCompilationInfo()%. Please let us know if there are any errors or if you would like to have additional featrues.