Information card for entry 7004279

Structure parameters

• Common name: [Ru3S2(CO)7(IMeMe)2]
• Formula: C21 H24 N4 O7 Ru3 S2
• Calculated formula: C21 H24 N4 O7 Ru3 S2
• SMILES: [Ru]1([S]2[Ru]([S]1[Ru]2(=C1N(C(=C(N1C)C)C)C)(C#[O])C#[O])(=C1N(C(=C(N1C)C)C)C)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The reactivity of N-heterocyclic carbenes and their precursors with [Ru3(CO)12]
• Authors of publication: Bruce, Michael I.; Cole, Marcus L.; Fung, Ricky S. C.; Forsyth, Craig M.; Hilder, Matthias; Junk, Peter C.; Konstas, Kristina
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 4118 - 4128
• a: 10.8571 ± 0.0003 Å
• b: 12.0289 ± 0.0004 Å
• c: 13.4641 ± 0.0006 Å
• α: 64.054 ± 0.001°
• β: 69.514 ± 0.001°
• γ: 63.256 ± 0.001°
• Cell volume: 1386.12 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No