Information card for entry 4300237

Structure parameters

• Formula: C104.67 H168.67 Na6 O10.67
• Calculated formula: C104.72 H168.8 Na6 O10.68
• Title of publication: Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates
• Authors of publication: Maarten B. Dinger; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1238 - 1254
• a: 14.0195 ± 0.0006 Å
• b: 26.7815 ± 0.0012 Å
• c: 14.3197 ± 0.0007 Å
• α: 90°
• β: 98.025 ± 0.001°
• γ: 90°
• Cell volume: 5323.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1334
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No