Information card for entry 4323493

Structure parameters

• Common name: [Ti(NMe2)2(N3)2(py)2]
• Formula: C14 H22 N10 Ti
• Calculated formula: C14 H22 N10 Ti
• SMILES: [Ti](N=N#N)(N=N#N)(N(C)C)(N(C)C)([n]1ccccc1)[n]1ccccc1
• 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: 7.12 ± 0.001 Å
• b: 15.899 ± 0.003 Å
• c: 16.946 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.3 ± 0.6 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No