Information card for entry 7217763

Structure parameters

• Formula: C63 H67 N6 O20 Zn3
• Calculated formula: C54 H42 N3 O17 Zn3
• 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: 26.846 ± 0.005 Å
• b: 27.178 ± 0.005 Å
• c: 9.766 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7125 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.2225
• Residual factor for significantly intense reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.3507
• Weighted residual factors for all reflections included in the refinement: 0.3981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No