Information card for entry 7003697

Structure parameters

• Formula: C20 H8 N2 O15 Ru5
• Calculated formula: C20 H8 N2 O15 Ru5
• SMILES: [Ru]123([Ru]456([Ru]781([Ru]4([Ru]57([C]268=[O]3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])=C1N(C=CN1C)C
• 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: 11.474 ± 0.003 Å
• b: 16.127 ± 0.004 Å
• c: 15.209 ± 0.003 Å
• α: 90°
• β: 96.326 ± 0.004°
• γ: 90°
• Cell volume: 2797.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No