title: Superstructure of a substituted zeolitic imidazolate metal-organic framework determined by combining proton solid-state NMR spectroscopy and DFT calculations.
abstract: We report the supercell crystal structure of a ZIF-8 analog substituted imidazolate metal-organic framework (SIM-1) obtained by combining solid-state nuclear magnetic resonance and powder X-ray diffraction experiments with density functional theory calculations.
authors: Institut des Sciences Analytiques, Centre de RMN à très hauts champs (CNRS/ENS-Lyon, UCB-Lyon1), Université de Lyon, 69100 Villeurbanne (France).
authors: Maria
authors: M
authors: Baias
authors: Anne
authors: A
authors: Lesage
authors: Sonia
authors: S
authors: Aguado
authors: Jerome
authors: J
authors: Canivet
authors: Virginie
authors: V
authors: Moizan-Basle
authors: Nathalie
authors: N
authors: Audebrand
authors: David
authors: D
authors: Farrusseng
authors: Lyndon
authors: L
authors: Emsley
keywords: X-ray diffraction; density functional calculations; metal-organic frameworks; porous materials; solid-state NMR spectroscopy