Information card for entry 4111410

Structure parameters

• Formula: C26 H32 N2 O12 Zn3
• Calculated formula: C26 H32 N2 O12 Zn3
• Title of publication: Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units
• Authors of publication: Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1504 - 1518
• a: 17.664 ± 0.003 Å
• b: 14.848 ± 0.002 Å
• c: 18.129 ± 0.003 Å
• α: 90°
• β: 112.14 ± 0.002°
• γ: 90°
• Cell volume: 4404.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No