Information card for entry 7039554

Structure parameters

• Formula: C69 H81 N O2 P2 Ti
• Calculated formula: C69 H81 N O2 P2 Ti
• Title of publication: Metallo-Wittig chemistry of an alkylidene to form a terminal titanium oxo complex.
• Authors of publication: Solowey, Douglas P.; Kurogi, Takashi; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15894 - 15901
• a: 11.4489 ± 0.0003 Å
• b: 21.9022 ± 0.0006 Å
• c: 23.9798 ± 0.0006 Å
• α: 90°
• β: 101.442 ± 0.002°
• γ: 90°
• Cell volume: 5893.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No