Information card for entry 4509178

Structure parameters

• Formula: C84 H70.5 Cd3 N10 O22.25
• Calculated formula: C84 H70.5 Cd3 N10 O22.25
• Title of publication: Spontaneous Assembly of 63Topological Metal−Organic Nanotubes with Distinct Asymmetric Subunits for the Construction of Hydrophilic Intertube Channels Encapsulating Rare Helical Water-Chains
• Authors of publication: Huang, Kun-Lin; Liu, Xi; Chen, Xin; Wang, Da-Qi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1646
• a: 55.816 ± 0.003 Å
• b: 55.816 ± 0.003 Å
• c: 13.957 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 37657 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No