Information card for entry 4067299

Structure parameters

• Formula: C16 H31 Cl2 N3 Ti
• Calculated formula: C16 H31 Cl2 N3 Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[Ti]([NH](C)C)([NH](C)C)(Cl)Cl
• Title of publication: Imido−Titanium/Molybdenum Heterobimetallic Systems. Switching from η6-Arene to Fischer-Type Aminocarbene Complexes by Tuning Reactivity Conditions
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1127
• a: 9.8809 ± 0.0006 Å
• b: 22.4338 ± 0.0012 Å
• c: 10.2598 ± 0.0006 Å
• α: 90°
• β: 113.557 ± 0.003°
• γ: 90°
• Cell volume: 2084.7 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No