Information card for entry 1531037

Structure parameters

• Formula: C180 H48 O32 Zr6
• Calculated formula: C180 H48 O32 Zr6
• Title of publication: The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions
• Authors of publication: Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7163
• a: 45.887 ± 0.008 Å
• b: 45.887 ± 0.008 Å
• c: 45.887 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 96620 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.518 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No