Information card for entry 4504622

Structure parameters

• Formula: C27 H35 Cd N O14
• Calculated formula: C27 H34 Cd N O14
• 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: 10.2233 ± 0.0007 Å
• b: 11.4655 ± 0.0008 Å
• c: 12.3312 ± 0.0008 Å
• α: 93.43 ± 0.01°
• β: 96.67 ± 0.01°
• γ: 95.08 ± 0.01°
• Cell volume: 1426.39 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0778
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No