Information card for entry 7000312

Structure parameters

• Formula: C36 H26 N2 O9 P2 Ru3 S
• Calculated formula: C36 H26 N2 O9 P2 Ru3 S
• SMILES: [Ru]123([Ru]([Ru]41([H]3)([S]2C(=N\CC)/P(=N[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of the zwitterionic ligand EtNHC(S)Ph2PNPPh2C(S)NEt towards [Ru3(CO)12]. Sulfur transfer and ligand fragmentation leading to the methideylamide [-N(Et)-CH(R)-] μ3-bridging moiety
• Authors of publication: Delferro, Massimiliano; Pattacini, Roberto; Cauzzi, Daniele; Graiff, Claudia; Terenghi, Mattia; Predieri, Giovanni; Tiripicchio, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 544 - 549
• a: 10.737 ± 0.003 Å
• b: 21.612 ± 0.004 Å
• c: 34.138 ± 0.005 Å
• α: 90°
• β: 91.58 ± 0.05°
• γ: 90°
• Cell volume: 7919 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No