Information card for entry 4070182

Structure parameters

• Formula: C34 H40 N4 Ti
• Calculated formula: C34 H40 N4 Ti
• SMILES: C1CCC2=[N]1[Ti]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)(N2c1cc(cc(c1)C)C)=NN(c1ccccc1)c1ccccc1
• Title of publication: Titanium Hydrazinediido Half-Sandwich Complexes: Highly Active Catalysts for the Hydrohydrazination of Terminal Alkynes at Ambient Temperature
• Authors of publication: Weitershaus, Katharina; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4898
• a: 14.6088 ± 0.0015 Å
• b: 11.0619 ± 0.0011 Å
• c: 19.2644 ± 0.0019 Å
• α: 90°
• β: 108.926 ± 0.002°
• γ: 90°
• Cell volume: 2944.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No