Information card for entry 4072646

Structure parameters

• Formula: C15 H22 Cl N Ti
• Calculated formula: C15 H22 Cl N Ti
• SMILES: [Ti]12345(Cl)([N](CC[c]61[c]12[c]3([cH]4[cH]56)cccc1)(C)C)(C)C
• Title of publication: Preparation and X-ray Structures of Alkyl−Titanium(IV) Complexes Stabilized by Indenyl Ligands with a Pendant Ether or Amine Substituent and Their Use in the Catalytic Hydroamination of Alkynes
• Authors of publication: Buil, María L.; Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 554
• a: 8.3491 ± 0.0014 Å
• b: 8.6636 ± 0.0014 Å
• c: 20.133 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No