Information card for entry 4061049

Structure parameters

• Formula: C27 H32 B Cl4 F4 N2 P Ru
• Calculated formula: C27 H32 B Cl4 F4 N2 P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6[nH+]cc[n]6C)(Cl)(Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Ruthenium Arene Derivatives with PN Hemilabile Ligands. P‒C Cleavage and Phosphine to Phosphinite Transformation
• Authors of publication: Caballero, Agustín; Jalón, Félix A.; Manzano, Blanca R.; Espino, Gustavo; Pérez-Manrique, Mercedes; Mucientes, Antonio; Poblete, Francisco J.; Maestro, Miguel
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 5694 - 5706
• a: 12.661 ± 0.002 Å
• b: 16.226 ± 0.003 Å
• c: 15.069 ± 0.003 Å
• α: 90°
• β: 92.015 ± 0.003°
• γ: 90°
• Cell volume: 3093.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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