Information card for entry 7004418

Structure parameters

• Formula: C44 H33 Cl2 O6 P3 Ru3 S3
• Calculated formula: C44 H33 Cl2 O6 P3 Ru3 S3
• SMILES: [Ru]123([S]4[Ru]56(C(=O)[Ru]([P](C[P]5(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)([P]1(c1sccc1)c1sccc1)(C#[O])(C#[O])[C]36=[CH]2C=C4)C#[O])(C#[O])C#[O].ClCCl
• Title of publication: Reactivity of triruthenium thiophyne and furyne clusters: competitive S‒C and P‒C bond cleavage reactions and the generation of highly unsymmetrical alkyne ligands
• Authors of publication: Uddin, Md. Nazim; Begum, Noorjahan; Hassan, Mohammad R.; Hogarth, Graeme; Kabir, Shariff E.; Miah, Md. Arzu; Nordlander, Ebbe; Tocher, Derek A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6219 - 6230
• a: 10.385 ± 0.003 Å
• b: 22.461 ± 0.006 Å
• c: 19.081 ± 0.006 Å
• α: 90°
• β: 93.835 ± 0.005°
• γ: 90°
• Cell volume: 4441 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No