Information card for entry 7004417

Structure parameters

• Formula: C40 H27 O9 P3 Ru3
• Calculated formula: C40 H27 O9 P3 Ru3
• SMILES: [Ru]123([C]45[Ru]([P]2(c2occc2)[Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[C]3=4OC=C5)(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• 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: 18.181 ± 0.002 Å
• b: 11.2861 ± 0.0012 Å
• c: 19.761 ± 0.002 Å
• α: 90°
• β: 102.168 ± 0.002°
• γ: 90°
• Cell volume: 3963.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No