Information card for entry 7018079

Structure parameters

• Chemical name: Cp*Ti{N(NPh2)SiH(Me)Ph}Cl2
• Formula: C29 H34 Cl2 N2 Si Ti
• Calculated formula: C29 H34 Cl2 N2 Si Ti
• SMILES: [Ti]12345(N([N]1(c1ccccc1)c1ccccc1)[SiH](C)c1ccccc1)(Cl)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H(+) reagents: Ti[double bond, length as m-dash]N(α) 1,2-silane addition, N(β) alkylation, N(α) protonation and σ-bond metathesis.
• Authors of publication: Tiong, Pei Jen; Nova, Ainara; Schwarz, Andrew D.; Selby, Jonathan D.; Clot, Eric; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2277 - 2288
• a: 8.493 ± 0.0002 Å
• b: 11.623 ± 0.0003 Å
• c: 14.6209 ± 0.0003 Å
• α: 95.506 ± 0.001°
• β: 96.0935 ± 0.0009°
• γ: 98.8666 ± 0.0012°
• Cell volume: 1408.69 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No