Information card for entry 7000314

Structure parameters

• Formula: C35 H30 N2 O8 P2 Ru3 S
• Calculated formula: C35 H30 N2 O8 P2 Ru3 S
• SMILES: [Ru]1234([Ru]56([Ru]1([S]25)(C#[O])(C#[O])([C]46=O)C#[N]CC)([P](N[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].CO
• 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: 20.304 ± 0.009 Å
• b: 9.91 ± 0.005 Å
• c: 20.779 ± 0.009 Å
• α: 90°
• β: 110.97 ± 0.05°
• γ: 90°
• Cell volume: 3904 ± 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No