Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ.sub.3./sub.-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C.sub.72./sub.H.sub.48./sub.I.sub.12./sub.N.sub.24./sub.Zn.sub.6./sub.∙10(C.sub.6./sub.H.sub.5./sub.NO.sub.2./sub.)

0553421 - FZÚ 2023 RIV DE eng J - Journal Article
Eigner, Václav
Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ₃-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C₇₂H₄₈I₁₂N₂₄Zn₆∙10(C₆H₅NO₂).
Zeitschrift fur Kristallographie-New Crystal Structures. Roč. 237, č. 1 (2022), s. 45-49. ISSN 1433-7266. E-ISSN 2197-4578
R&D Projects: GA ČR(CZ) GJ20-14770Y
Institutional support: RVO:68378271
Keywords : crystal sponge * asymetric unit * TPT ligands * crystal structure
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 0.3, year: 2022
Method of publishing: Open access

The H atoms were refined with soft restraints (C–H 0.93–0.98 Å) andUiso(H) (1.2–1.5Ueq C), and then refined with riding constraints. The disordered iodide anions attached to Zn16 were refined using thermal similarity and occupancy sum restraints, resulting in final occupancy ratio of 820(7):180(7). The structure is a redetermination of crystal structure deposited with the CCDC [6].
Permanent Link: http://hdl.handle.net/11104/0330517