Information card for entry 4060354

Structure parameters

• Formula: C54 H92 N P3 Ti
• Calculated formula: C54 H77 N P3 Ti
• 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: 10.4954 ± 0.001 Å
• b: 14.5554 ± 0.0014 Å
• c: 19.3081 ± 0.0018 Å
• α: 107.202 ± 0.002°
• β: 103.737 ± 0.002°
• γ: 95.098 ± 0.002°
• Cell volume: 2696.5 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No