Information card for entry 4346049

Structure parameters

• Common name: Zr6O4(OH)4(bpydc)5.16
• Formula: C61.92 H37.05 N10.32 O32 Zr6
• Calculated formula: C61.92 H37.2 N10.32 O32 Zr6
• Title of publication: Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.
• Authors of publication: Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2995 - 3005
• a: 26.52 ± 0.002 Å
• b: 26.52 ± 0.002 Å
• c: 26.52 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18652 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No