Information card for entry 4323492

Structure parameters

• Common name: [Ti(NMe2)3(N3)(bipy)]
• Formula: C16 H26 N8 Ti
• Calculated formula: C16 H26 N8 Ti
• SMILES: [Ti]1(N=N#N)(N(C)C)(N(C)C)(N(C)C)[n]2ccccc2c2[n]1cccc2
• Title of publication: Monomeric Titanium(IV) Azides as a New Route to Titanium Nitride
• Authors of publication: Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Yang-Ming Sun; Bill Fitts; Sandra Whaley; Herbert W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3108 - 3112
• a: 15.682 ± 0.002 Å
• b: 8.814 ± 0.001 Å
• c: 15.128 ± 0.001 Å
• α: 90°
• β: 108.39 ± 0.01°
• γ: 90°
• Cell volume: 1984.2 ± 0.4 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 4
• 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: 0.1625
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.0753
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No