Information card for entry 4060355

Structure parameters

• Formula: C43 H66 N2 P2 Ti
• Calculated formula: C43 H68 N2 P2 Ti
• SMILES: [Ti]12([P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)CC(C)(C)C
• Title of publication: X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.
• Authors of publication: R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.807 ± 0.007 Å
• b: 16.571 ± 0.012 Å
• c: 21.743 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4254 ± 5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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