Information card for entry 4069826

Structure parameters

• Formula: C27 H45 N7 Si Ti
• Calculated formula: C27 H45 N7 Si Ti
• SMILES: C1CCC2=[N]1[Ti]13456([c]7([c]1([c]4([c]5([c]73C)C)C)C)C)(N2c1cc(cc(c1)C)C)([N](C)(C)N6[Si](C)(C)C)N=N#N
• 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: 12.0065 ± 0.0019 Å
• b: 16.755 ± 0.003 Å
• c: 14.366 ± 0.002 Å
• α: 90°
• β: 91.997 ± 0.003°
• γ: 90°
• Cell volume: 2888.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No