Information card for entry 7238862

Structure parameters

• Common name: TMOF-3
• Formula: C47 H52 N4 O9 Zn
• Calculated formula: C47 H51 N4 O9 Zn
• Title of publication: Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands
• Authors of publication: Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9811
• a: 8.5277 ± 0.0006 Å
• b: 16.9942 ± 0.0012 Å
• c: 17.4044 ± 0.0012 Å
• α: 113.501 ± 0.004°
• β: 101.299 ± 0.004°
• γ: 95.99 ± 0.004°
• Cell volume: 2221 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1064
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No