Information card for entry 4111412

Structure parameters

• Formula: C46 H43 Cd2 N O10
• Calculated formula: C46 H37 Cd2 N O10
• 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: 10.1023 ± 0.0011 Å
• b: 14.412 ± 0.0016 Å
• c: 14.9635 ± 0.0017 Å
• α: 70.59 ± 0.002°
• β: 72.752 ± 0.002°
• γ: 87.142 ± 0.002°
• Cell volume: 1959.5 ± 0.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No