Information card for entry 4064365

Structure parameters

• Chemical name: Cp*2Ti2(u-NNMe2)2Cl2
• Formula: C24 H42 Cl2 N4 Ti2
• Calculated formula: C24 H42 Cl2 N4 Ti2
• SMILES: [Ti]12345(Cl)(N([Ti]6789%10(Cl)(N1[N]6(C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)N(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 10.0039 ± 0.0002 Å
• b: 17.9623 ± 0.0005 Å
• c: 15.4127 ± 0.0004 Å
• α: 90°
• β: 104.841 ± 0.0013°
• γ: 90°
• Cell volume: 2677.16 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0476
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No