Information card for entry 4062006

Structure parameters

• Common name: [RuCp(=CHC(n-Bu)CH-eta2-CH=CH-n-Pr)(SbPh3)]PF6
• Formula: C35 H40 F6 P Ru Sb
• Calculated formula: C35 H40 F6 P Ru Sb
• SMILES: [Ru]123456([Sb](c7ccccc7)(c7ccccc7)c7ccccc7)([cH]7[cH]1[cH]2[cH]3[cH]47)=CC(=C[CH]5=[CH]6CCC)CCCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxidative Coupling of Alkynes mediated by [RuCp(SbR3)(CH3CN)2]+ (R = Ph, n-Bu): Metallacyclopentatriene Intermediates and the Formation of Butadienyl Carbenes
• Authors of publication: Becker, Eva; Mereiter, Kurt; Puchberger, Michael; Schmid, Roland; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.459 ± 0.003 Å
• b: 20.681 ± 0.005 Å
• c: 14.668 ± 0.004 Å
• α: 90°
• β: 90.86 ± 0.02°
• γ: 90°
• Cell volume: 3475.7 ± 1.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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