Information card for entry 4350307

Structure parameters

• Formula: C34 H18 Cl2 N4 O22 Ru9
• Calculated formula: C34 H18 Cl2 N4 O22 Ru9
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567(C#[O])(C#[O])[N]81[Ru]19%1023(C#[O])(C#[O])[O]23%11[Ru]48%12%13(C#[O])(C#[O])[H][Ru]48(C#[O])(C#[O])(C#[O])C(=O)[Ru]%15%1634(C#[O])([NH]3c4cccc(C)[n]4[Ru]%16(C#[O])(C#[O])(C#[O])[Ru]12%153(C#[O])C#[O])[Ru]59%11%128(C#[O])(C#[O])([H]6%10)[H]7%13.C(Cl)Cl
• 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: 10.3849 ± 0.0002 Å
• b: 11.0108 ± 0.0001 Å
• c: 21.9664 ± 0.0003 Å
• α: 86.577 ± 0.001°
• β: 87.122 ± 0.001°
• γ: 85.863 ± 0.001°
• Cell volume: 2498.1 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No