Information card for entry 7018074

Structure parameters

• Chemical name: Cp*Ti{MeC(NiPr)2}(Cl){N(NMe2)SiH2Ph}
• Formula: C26 H45 Cl N4 Si Ti
• Calculated formula: C26 H45 Cl N4 Si Ti
• SMILES: [Ti]123456(Cl)(N([SiH2]c7ccccc7)[N]1(C)C)(N(C(=[N]2C(C)C)C)C(C)C)[c]1([c]3([c]4([c]5([c]61C)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: 9.8784 ± 0.0002 Å
• b: 10.3809 ± 0.0003 Å
• c: 15.6151 ± 0.0004 Å
• α: 94.63 ± 0.0011°
• β: 99.7244 ± 0.0013°
• γ: 114.528 ± 0.0013°
• Cell volume: 1415.38 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No