Information card for entry 4119689

Structure parameters

• Common name: MOF-150
• Formula: C18 H12 N2 O3 Zn
• Calculated formula: C18 H12 N2 O3 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: 26.5937 ± 0.0011 Å
• b: 26.5937 ± 0.0011 Å
• c: 5.1462 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3639.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No