Information card for entry 7001974

Structure parameters

• Formula: C32 H30 Cl2 N2 O5 Ru2
• Calculated formula: C32 H30 Cl2 N2 O5 Ru2
• SMILES: [Ru]12([Ru]3456(C#[O])(C#[O])[c]78cccc[c]37[c]4([cH]5[cH]68)C1CN1C=CN(C=21)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Reactions of indenyl-functionalized imidazolium salts and N-heterocyclic carbenes with Ru3(CO)12
• Authors of publication: Zhang, Congying; Luo, Feng; Cheng, Bin; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7230 - 7235
• a: 9.0789 ± 0.0005 Å
• b: 14.6352 ± 0.0007 Å
• c: 23.5139 ± 0.0013 Å
• α: 90°
• β: 91.894 ± 0.003°
• γ: 90°
• Cell volume: 3122.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No