Information card for entry 4064367

Structure parameters

• Chemical name: Cp*Ti(NHNMe2)2Cl
• Formula: C14 H29 Cl N4 Ti
• Calculated formula: C14 H29 Cl N4 Ti
• SMILES: [Ti]123456(Cl)(N[N]1(C)C)(N[N]2(C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: New Sandwich and Half-Sandwich Titanium Hydrazido Compounds
• Authors of publication: Selby, Jonathan D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2295
• a: 8.5361 ± 0.0002 Å
• b: 12.4404 ± 0.0003 Å
• c: 16.6363 ± 0.0004 Å
• α: 90°
• β: 95.9091 ± 0.0013°
• γ: 90°
• Cell volume: 1757.26 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No