Information card for entry 4325522

Structure parameters

• Formula: C30 H45 N O3 Ti3
• Calculated formula: C30 H45 N O3 Ti3
• Title of publication: Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model
• Authors of publication: Sonia Aguado-Ullate; Jorge J. Carbó; Octavio González-del Moral; Avelino Martín; Miguel Mena; Josep.-M. Poblet; Cristina Santamaría
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6269 - 6279
• a: 11.839 ± 0.002 Å
• b: 13.792 ± 0.003 Å
• c: 19.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3161.3 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No