Information card for entry 7004280

Structure parameters

• Common name: [{Ru(mu-Cl)(CO)2(IMes)}2]
• Formula: C46 H48 Cl2 N4 O4 Ru2
• Calculated formula: C46 H48 Cl2 N4 O4 Ru2
• SMILES: [Ru]1([Cl][Ru]([Cl]1)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])C#[O])(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(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: 15.5442 ± 0.0005 Å
• b: 14.3837 ± 0.0004 Å
• c: 20.5832 ± 0.0006 Å
• α: 90°
• β: 101.257 ± 0.001°
• γ: 90°
• Cell volume: 4513.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No