Information card for entry 4119695

Structure parameters

• Common name: MOF-150 (n-propanol)
• Formula: C21 H19 N2 O4 Zn
• Calculated formula: C21 H19 N2 O4 Zn
• Title of publication: Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework
• Authors of publication: Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6411 - 6414
• a: 26.742 ± 0.004 Å
• b: 26.742 ± 0.004 Å
• c: 5.1504 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3683.2 ± 1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No