Information card for entry 4061969

Structure parameters

• Common name: [RuCp(eta4-C4H4(CH2)3-PPh2-kappa1-(N)-NPh)]PF6 (2d)
• Formula: C30 H29 F6 N P2 Ru
• Calculated formula: C30 H29 F6 N P2 Ru
• SMILES: [Ru]23456789([N](c1ccccc1)=P(c1ccccc1)(c1ccccc1)[CH]6=[C]17[C]8(CCC1)=[CH2]9)[cH]1[cH]2[cH]3[cH]4[cH]51.[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: 9.2041 ± 0.0019 Å
• b: 20.107 ± 0.004 Å
• c: 30.886 ± 0.006 Å
• α: 90°
• β: 95.402 ± 0.004°
• γ: 90°
• Cell volume: 5691 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: No
• Has Fobs: No