Information card for entry 4310035

Structure parameters

• Formula: C34 H56 N4 O3 Ti
• Calculated formula: C34 H56 N4 O3 Ti
• Title of publication: Structure, Bonding, and Reactivity of Ti and Zr Amidate Complexes: DFT and X-Ray Crystallographic Studies
• Authors of publication: Robert K. Thomson; Federico E. Zahariev; Zhe Zhang; Brian O. Patrick; Yan Alexander Wang; Laurel L. Schafer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8680 - 8689
• a: 9.561 ± 0.002 Å
• b: 10.519 ± 0.002 Å
• c: 19.121 ± 0.003 Å
• α: 102.3 ± 0.01°
• β: 90.63 ± 0.01°
• γ: 110.6 ± 0.01°
• Cell volume: 1751 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1456
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No