Information card for entry 7119431

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: 8.385 ± 0.003 Å
• b: 9.21 ± 0.003 Å
• c: 11.159 ± 0.004 Å
• α: 90.459 ± 0.004°
• β: 110.476 ± 0.004°
• γ: 100.507 ± 0.005°
• Cell volume: 791.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No