Information card for entry 4324092

Structure parameters

• Common name: (N2N2)Ti(N3)2
• Formula: C18 H32 N10 O2 Ti
• Calculated formula: C18 H32 N10 O2 Ti
• Title of publication: Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes
• Authors of publication: Géza Szigethy; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 125 - 135
• a: 9.6998 ± 0.0007 Å
• b: 10.7251 ± 0.0007 Å
• c: 11.599 ± 0.0008 Å
• α: 80.37 ± 0.001°
• β: 76.523 ± 0.001°
• γ: 72.188 ± 0.001°
• Cell volume: 1111.16 ± 0.13 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No