Information card for entry 7119414

Structure parameters

• Formula: C16 H16 N2 O5 Zn
• Calculated formula: C16 H16 N2 O5 Zn
• Title of publication: A five-fold interpenetrated metal-organic framework showing a large variation in thermal expansion behaviour owing to dramatic structural transformation upon dehydration-rehydration.
• Authors of publication: Aggarwal, Himanshu; Das, Raj Kumar; Engel, Emile R.; Barbour, Leonard J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 861 - 864
• a: 8.4179 ± 0.0002 Å
• b: 9.1829 ± 0.0002 Å
• c: 11.2234 ± 0.0003 Å
• α: 90.807 ± 0.002°
• β: 110.554 ± 0.001°
• γ: 99.951 ± 0.001°
• Cell volume: 797.49 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No