Information card for entry 7218067

Structure parameters

• Formula: C3 H7 N O6 Zn
• Calculated formula: C3 H7 N O6 Zn
• Title of publication: Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework
• Authors of publication: Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 370
• a: 12.5946 ± 0.0003 Å
• b: 12.5946 ± 0.0003 Å
• c: 8.2087 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1127.65 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No