Information card for entry 7030543

Structure parameters

• Formula: C34 H28 N2 O8 Ru3
• Calculated formula: C34 H28 N2 O8 Ru3
• SMILES: [Ru]1234([Ru]56([H][Ru]1(C#[O])(C#[O])(C#[O])[C]14[C]3(=[C]25CN2C=CN(c3c(C(C)C)cccc3C(C)C)C=62)c2ccccc2C1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.419 ± 0.003 Å
• b: 15.676 ± 0.003 Å
• c: 16.866 ± 0.003 Å
• α: 91.674 ± 0.002°
• β: 98.914 ± 0.003°
• γ: 116.114 ± 0.003°
• Cell volume: 3361.3 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7001975
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No