Information card for entry 4061687

Structure parameters

• Formula: C11 H20 Cl N Ti
• Calculated formula: C11 H20 Cl N Ti
• SMILES: [Ti]12345(Cl)([N](CC[c]61[cH]2[cH]3[cH]4[cH]56)(C)C)(C)C
• Title of publication: New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes
• Authors of publication: Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.9192 ± 0.0016 Å
• b: 9.1904 ± 0.0016 Å
• c: 15.249 ± 0.003 Å
• α: 90 ± 0.003°
• β: 90 ± 0.003°
• γ: 90 ± 0.004°
• Cell volume: 1250 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No