Information card for entry 4061688

Structure parameters

• Formula: C18 H28 Cl2 N2 O2 Ti2
• Calculated formula: C18 H28 Cl2 N2 O2 Ti2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Ti]173456([N](CC2)(C)C)(O[Ti]234567([c]7([cH]2[cH]3[cH]4[cH]57)CC[N]6(C)C)(O1)Cl)Cl
• 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: 8.4483 ± 0.0014 Å
• b: 7.8564 ± 0.0013 Å
• c: 14.967 ± 0.003 Å
• α: 90°
• β: 97.839 ± 0.003°
• γ: 90°
• Cell volume: 984.1 ± 0 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No