Information card for entry 4061968

Structure parameters

• Common name: [RuCp(eta4-C4H3(n-Bu)2-PPh2-kappa1-(N)-NPh)]PF6 (2b)
• Formula: C35 H41 F6 N P2 Ru
• Calculated formula: C35 H41 F6 N P2 Ru
• SMILES: [Ru]23456789([N](c1ccccc1)=P(c1ccccc1)(c1ccccc1)[CH]6=[C]7(CCCC)[CH]8=[CH]9CCCC)[cH]1[cH]5[cH]4[cH]3[cH]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Regioselective Coupling of Alkynes mediated by [RuCp(PPh2NHPh)(CH3CN)2]+: Formation of eta4-Diene Amido Complexes via Double Migration of the PPh2PNHPh Ligand
• Authors of publication: Sonja Pavlik, Kurt Mereiter, Roland Schmid, Karl Kirchner
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 14.406 ± 0.002 Å
• b: 11.2173 ± 0.0015 Å
• c: 21.209 ± 0.003 Å
• α: 90°
• β: 96.731 ± 0.002°
• γ: 90°
• Cell volume: 3403.7 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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