Information card for entry 4086503

Structure parameters

• Chemical name: C25 H35 N O Ti
• Formula: C100 H140 N4 O4 Ti4
• Calculated formula: C100 H140 N4 O4 Ti4
• Title of publication: Synthesis, Cycloaddition, and Cycloreversion Reactions of Mononuclear Titanocene‒oxo Complexes
• Authors of publication: Nguyen, Trang T.; Kortman, Gregory D.; Hull, Kami L.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1713
• a: 15.1911 ± 0.0004 Å
• b: 16.9206 ± 0.0004 Å
• c: 17.1163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4399.62 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No