Information card for entry 4068811

Structure parameters

• Formula: C50 H40 N2 O9 Ru3 Sn2
• Calculated formula: C50 H40 N2 O9 Ru3 Sn2
• SMILES: C1(N(C=CN1C)C)=[Ru](C#[O])(C#[O])(C#[O])[H][Ru](C#[O])(C#[O])(C#[O])([H][Ru](C#[O])(C#[O])(C#[O])[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of Protons, Tertiary Stannanes, and Alkynes with a Triruthenium Dihydrido Cluster Containing a Face-Capping NHC Ligand
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Sánchez-Vega, M. Gabriela
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1243
• a: 19.9871 ± 0.0005 Å
• b: 9.5179 ± 0.0003 Å
• c: 28.4447 ± 0.0007 Å
• α: 90°
• β: 110.216 ± 0.001°
• γ: 90°
• Cell volume: 5077.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1317
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No