Information card for entry 4115784

Structure parameters

• Formula: C78 H117.5 N8.5 O38 Zn4
• Calculated formula: C78 H36 N8.5 O38 Zn4
• Title of publication: Tertiary Building Units: Synthesis, Structure, and Porosity of a Metal-Organic Dendrimer Framework (MODF-1)
• Authors of publication: Hee K. Chae; Mohamed Eddaoudi; Jaheon Kim; Sheila I. Hauck; John F. Hartwig; Michael O'Keeffe; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11482 - 11483
• a: 20.33 ± 0.0009 Å
• b: 23.1692 ± 0.0011 Å
• c: 32.0081 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15076.8 ± 1.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No