Information card for entry 4325406

Structure parameters

• Formula: C40 H100 Mo4 O36 Ti8
• Calculated formula: C40 H100 Mo4 O36 Ti8
• Title of publication: Extending the Family of Titanium Heterometallic-oxo-alkoxy Cages
• Authors of publication: Salvador Eslava; Benjamin P. R. Goodwill; Mary McPartlin; Dominic S. Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5655 - 5662
• a: 14.2373 ± 0.0005 Å
• b: 16.2385 ± 0.0007 Å
• c: 16.7247 ± 0.0006 Å
• α: 90°
• β: 112.548 ± 0.002°
• γ: 90°
• Cell volume: 3571.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0948
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No