Information card for entry 7003698

Structure parameters

• Formula: C24 H16 N4 O14 Ru5
• Calculated formula: C24 H16 N4 O14 Ru5
• SMILES: C1(N(C=CN1C)C)=[Ru]123([C]45(=[O]1)[Ru]162(C#[O])(C#[O])(C#[O])[Ru]234(C#[O])(C#[O])(C#[O])[Ru]1(C#[O])(C#[O])(C#[O])[Ru]562(=C1N(C=CN1C)C)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Activation of two C‒H bonds of NHC N-methyl groups on triosmium and triruthenium carbonyl clusters
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1937 - 1942
• a: 11.016 ± 0.004 Å
• b: 11.274 ± 0.004 Å
• c: 14.241 ± 0.005 Å
• α: 81.39 ± 0.007°
• β: 82.044 ± 0.007°
• γ: 67.424 ± 0.006°
• Cell volume: 1608.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No