Information card for entry 4062141

Structure parameters

• Common name: [Ru(eta5-C5H4CH2CH2PPh2-kappa1C-CH-eta4-C5Ph3H2)]PF6.(CH3)2CO, compound 4a.(CH3)2CO
• Formula: C46 H42 F6 O P2 Ru
• Calculated formula: C46 H42 F6 O P2 Ru
• Title of publication: A Novel [2+2+1] Cyclotrimerization of Alkynes mediated by Bidentate Cyclopentadienyl-Phosphine Ruthenium Complexes
• Authors of publication: Becker, Eva; Mereiter, Kurt; Puchberger, Michael; Schmid, Roland; Kirchner, Karl; Doppiu, Angelino; Salzer, Albrecht
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 13.927 ± 0.002 Å
• b: 15.616 ± 0.003 Å
• c: 19.552 ± 0.003 Å
• α: 90°
• β: 105.736 ± 0.003°
• γ: 90°
• Cell volume: 4093.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No