Information card for entry 4350306

Structure parameters

• Formula: C25 H12 N4 O13 Ru5
• Calculated formula: C25 H12 N4 O13 Ru5
• SMILES: c12cccc(C)[n]2[Ru]23(C#[O])(C#[O])(C#[O])[N]451[Ru]162(C(=O)[Ru]2756(C#[O])(C#[O])[N]51c1cccc(C)[n]1[Ru]7(C#[O])(C#[O])(C#[O])[Ru]3425(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: High-nuclearity ruthenium carbonyl cluster complexes derived from 2-amino-6-methylpyridine: synthesis of nonanuclear derivatives containing mu4- and mu5-oxo ligands.
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; García-Alvarez, Pablo; Miguel, Daniel
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6020 - 6027
• a: 15.5476 ± 0.0002 Å
• b: 10.2437 ± 0.0001 Å
• c: 20.8661 ± 0.0002 Å
• α: 90°
• β: 90.212 ± 0.001°
• γ: 90°
• Cell volume: 3323.22 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No