Information card for entry 4344088

Structure parameters

• Formula: C84 H48 O32 Zr6
• Calculated formula: C84 H48 O32 Zr6
• Title of publication: Metal-Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks.
• Authors of publication: Gutov, Oleksii V.; Hevia, Miguel González; Escudero-Adán, Eduardo C; Shafir, Alexandr
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8396 - 8400
• a: 26.812 ± 0.002 Å
• b: 26.812 ± 0.002 Å
• c: 26.812 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19275 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No