Information card for entry 7238861

Structure parameters

• Common name: PMOF-1
• Formula: C348 H314 N16 O61 Zn8
• Calculated formula: C348 H304 N16 O61 Zn8
• 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: 18.978 ± 0.005 Å
• b: 23.17 ± 0.005 Å
• c: 23.477 ± 0.005 Å
• α: 87.73 ± 0.005°
• β: 68.378 ± 0.005°
• γ: 68.299 ± 0.005°
• Cell volume: 8861 ± 4 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: 0.1332
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2697
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No