Information card for entry 4069823

Structure parameters

• Formula: C43 H48 N4 Ti
• Calculated formula: C43 H48 N4 Ti
• SMILES: C1CCC2=[N]1[Ti]13456(C/C(=C\c7ccccc7)N6N(c6ccccc6)c6ccccc6)([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)N2c1cc(cc(c1)C)C
• Title of publication: Reactions of Titanium Hydrazinediido Complexes with Unsaturated Organic Substrates
• Authors of publication: Weitershaus, Katharina; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4747
• a: 38.976 ± 0.005 Å
• b: 10.1778 ± 0.0014 Å
• c: 20.072 ± 0.003 Å
• α: 90°
• β: 114.283 ± 0.002°
• γ: 90°
• Cell volume: 7257.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No