Information card for entry 2221980

Structure parameters

• Chemical name: dichlorido[<i>N</i>,<i>N</i>-dimethyl-2-(η^5^- tetramethylcyclopentadienyl)acetamidinido-κ<i>N</i>']titanium(IV)
• Formula: C13 H20 Cl2 N2 Ti
• Calculated formula: C13 H20 Cl2 N2 Ti
• SMILES: [Ti]12345(Cl)(Cl)N=C(N(C)C)C[c]61[c]2([c]3([c]4([c]56C)C)C)C
• Title of publication: The <i>ansa</i>-bridged cyclopentadienyl titanium complex [{η^5^-C~5~Me~4~CH~2~-C(NMe~2~)=N}TiCl~2~]
• Authors of publication: Guo, Donglong; Tong, Hong-Bo; Zhou, Meisu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m611
• a: 12.6 ± 0.005 Å
• b: 15.498 ± 0.006 Å
• c: 15.574 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3041.2 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes