Information card for entry 4111414

Structure parameters

• Formula: C12 H16 O6 Pb
• Calculated formula: C12 H16 O6 Pb
• 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: 8.3639 ± 0.0003 Å
• b: 17.9914 ± 0.0008 Å
• c: 9.9617 ± 0.0004 Å
• α: 90°
• β: 102.687 ± 0.001°
• γ: 90°
• Cell volume: 1462.42 ± 0.1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No