Information card for entry 7217765

Structure parameters

• Formula: C34.5 H28.5 N1.5 O11.5 Zn2
• Calculated formula: C30 H14 O10 Zn2
• Title of publication: A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates
• Authors of publication: Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 8937
• a: 27.063 ± 0.009 Å
• b: 27.063 ± 0.009 Å
• c: 16.107 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10216 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No