Information card for entry 4062008

Structure parameters

• Common name: trans-[CpRu(eta3-CH2C(CH2Ph)CH-eta1-C=CH-Ph)(SbPh3)]PF6
• Formula: C41 H36 F6 P Ru Sb
• Calculated formula: C41 H36 F6 P Ru Sb
• SMILES: [Ru]1234567([Sb](c8ccccc8)(c8ccccc8)c8ccccc8)([cH]8[cH]1[cH]2[cH]3[cH]48)[CH2]=[C]5(C6C7=Cc1ccccc1)Cc1ccccc1.[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: 13.382 ± 0.004 Å
• b: 18.47 ± 0.006 Å
• c: 14.76 ± 0.005 Å
• α: 90°
• β: 98.01 ± 0.02°
• γ: 90°
• Cell volume: 3613 ± 2 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