Information card for entry 7018076

Structure parameters

• Chemical name: Cp*Ti{MeC(NiPr)2}(H){N(NMe2)SiH2ArOMe}
• Formula: C27 H48 N4 O Si Ti
• Calculated formula: C27 H48 N4 O Si Ti
• SMILES: [TiH]123456(N([N]1(C)C)[SiH2]c1ccc(OC)cc1)([N](=C(N2C(C)C)C)C(C)C)[c]1([c]6([c]5([c]4([c]31C)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: 8.5719 ± 0.0001 Å
• b: 9.9056 ± 0.0001 Å
• c: 18.2095 ± 0.0002 Å
• α: 80.3853 ± 0.0004°
• β: 87.2553 ± 0.0004°
• γ: 71.1128 ± 0.0005°
• Cell volume: 1442.34 ± 0.03 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: 0.0406
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No