Information card for entry 4063504

Structure parameters

• Formula: C19 H40 Al N O Ti
• Calculated formula: C19 H40 Al N O Ti
• SMILES: [Ti]12345([O]([Al](C)(C)C)[N]1(CC)CC)(C)(C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Propylene Polymerization with Cyclopentadienyltitanium(IV) Hydroxylaminato Complexes
• Authors of publication: Dove, Andrew P.; Kiesewetter, Elizabeth T.; Ottenwaelder, Xavier; Waymouth, Robert M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 405 - 412
• a: 9.1429 ± 0.0005 Å
• b: 18.1706 ± 0.0009 Å
• c: 13.7083 ± 0.0007 Å
• α: 90°
• β: 98.257 ± 0.001°
• γ: 90°
• Cell volume: 2253.8 ± 0.2 ų
• Cell temperature: 166 K
• Ambient diffraction temperature: 166 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: 0.0503
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No