Information card for entry 4504623

Structure parameters

• Formula: C54 H82 Cd2 N2 O34
• Calculated formula: C54 H80 Cd2 N2 O34
• Title of publication: Metal−Organic Framework Structures of Cd(II) Built with Two Closely Related Podands That Are Further Stabilized by Water Clusters
• Authors of publication: Neogi, Subhadip; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 433
• a: 16.7519 ± 0.0013 Å
• b: 18.5679 ± 0.0014 Å
• c: 21.6105 ± 0.0016 Å
• α: 90°
• β: 107.36 ± 0.1°
• γ: 90°
• Cell volume: 6416 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No