Information card for entry 4109209

Structure parameters

• Formula: C24 H12 O13 Zn4
• Calculated formula: C24 H12 O13 Zn4
• Title of publication: The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities
• Authors of publication: Jasmina Hafizovic; Morten Bjørgen; Unni Olsbye; Pascal D. C. Dietzel; Silvia Bordiga; Carmelo Prestipino; Carlo Lamberti; Karl Petter Lillerud
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3612 - 3620
• a: 18.406 ± 0.003 Å
• b: 18.406 ± 0.003 Å
• c: 44.75 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13129 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No