Information card for entry 4323494

Structure parameters

• Common name: [Ti(NMe2)2(N3)2(bipy)]
• Formula: C14 H20 N10 Ti
• Calculated formula: C14 H20 N10 Ti
• SMILES: c1cccc2[n]1[Ti](N=N#N)(N=N#N)(N(C)C)(N(C)C)[n]1ccccc21
• 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: 7.358 ± 0.002 Å
• b: 16.808 ± 0.004 Å
• c: 14.837 ± 0.006 Å
• α: 90°
• β: 95.4 ± 0.02°
• γ: 90°
• Cell volume: 1826.8 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.1692
• Weighted residual factors for significantly intense reflections: 0.1509
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No