Information card for entry 4103387

Structure parameters

• Formula: C12.6 N0.6 O3 V
• Calculated formula: C12.678 N0.618 O3 V
• Title of publication: Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms
• Authors of publication: Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15277 - 15285
• a: 6.8285 ± 0.0007 Å
• b: 14.5274 ± 0.0018 Å
• c: 14.0135 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.1 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• RFsqd: 0.0537
• Goodness-of-fit parameter for all reflections: 0.97
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No