Information card for entry 4064356

Structure parameters

• Formula: C19 H10 N2 O11 Ru4
• Calculated formula: C19 H10 N2 O11 Ru4
• SMILES: [Ru]123([Ru]45([Ru]678([Ru]14(C#[O])(C#[O])(C#[O])[C]27(CN1C=CN(C)C=61)[C]358C)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Unsymmetrically Substituted N-Heterocyclic Carbenes with Ru3(CO)12
• Authors of publication: Zhang, Congying; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3029
• a: 9.072 ± 0.002 Å
• b: 17.853 ± 0.004 Å
• c: 23.241 ± 0.005 Å
• α: 73.353 ± 0.007°
• β: 85.268 ± 0.007°
• γ: 89.581 ± 0.009°
• Cell volume: 3593.6 ± 1.4 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No