Singlecrystals suitable for X-ray diffraction were selected and mounted in inert oilin cold nitrogen gas stream in 100Kwithan Oxford Cryosystems 700 series and their X-ray diffraction intensity data wascollected on a Rigaku XtaLAB FR-X diffractometer equipped with a Hypix6000HEdetector,with VariMax optic coupled with theFR-X rotating anode generator using Cu Kα radiation (λ = 1.54184 Å) and Mo Kα radiation (λ= 0.71 Å). Crystals were kept at the temperature listed in the X-ray crystallography section during data collection. The exposure time of crystal (CCDC 2089515) was set upto be 30s at 0.5° scans and crystal (CCDC 2122335) was set up to be 10s at 0.5° scans. Dataintegration and reduction were undertaken with CrysAlisPro.1 The intensitieswere corrected for Lorentz and polarization effects, and an empiricalabsorption correction was applied. By the use of Olex2,¹ the structure was solvedeither (i) with the ShelXS² structure solution program using DirectMethods or (ii) with the ShelXT³ structure solution program usingDirect Methods or Intrinsic Phasing. The hydrogen atoms were set in calculatedpositions and refined as riding atoms with a common fixed isotropic thermalparameter. Some guest molecules were refined isotropically due to disorder thatcould not be modeled precisely. Distance restraints were also imposed on some disordered dichloromethane molecules and PF₆^–counterions. Selecteddetails of the data collection and structural refinement can be found within the X-ray crystallography section and full details are available in thecorresponding CIF files. Crystallographic data (excluding structure factors)have been deposited with the Cambridge Crystallographic Data Centre and may beobtained free of charge via http://www.ccdc.cam.ac.uk/data_request/cif.

 

1.      Dolomanov,O.V., Bourhis, L.J., Gildea, R.J., Howard, J.A.K., and Puschmann, H. (2009).OLEX2: a complete structure solution, refinement and analysis program. J. Appl.Crystallogr. 42, 339−341.

2.      Sheldrick,G.M. (2015). Crystal structure refinement with SHELXL. Acta Crystallogr., Sect.C: Cryst. Struct. Commun. 71, 3−8.

3.      Sheldrick,G.M. (2008). A short history of SHELX. Acta Crystallogr., Sect. A: Found.Crystallogr. 64, 112−122.