Information card for entry 4064357

Structure parameters

• Formula: C28.5 H21 Cl3 N2 O11 Ru4
• Calculated formula: C28.5 H21 Cl3 N2 O11 Ru4
• SMILES: [Ru]123([Ru]45([Ru]678([Ru]14(C#[O])(C#[O])(C#[O])[C]37([C]256C)CN1C=CN(C=81)c1c(cc(cc1C)C)C)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl.ClCCl
• 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: 19.5678 ± 0.0016 Å
• b: 34.657 ± 0.002 Å
• c: 21.769 ± 0.0017 Å
• α: 90°
• β: 110.191 ± 0.001°
• γ: 90°
• Cell volume: 13855.7 ± 1.8 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No