Information card for entry 7119430

Structure parameters

• Formula: C16 H14 N2 O4 Zn
• Calculated formula: C16 H14 N2 O4 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: 8.1801 ± 0.0019 Å
• b: 8.831 ± 0.002 Å
• c: 11.441 ± 0.003 Å
• α: 92.396 ± 0.002°
• β: 107.797 ± 0.002°
• γ: 94.95 ± 0.003°
• Cell volume: 782 ± 0.3 ų
• Cell temperature: 247 ± 2 K
• Ambient diffraction temperature: 247 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No