Information card for entry 4350309

Structure parameters

• Formula: C39 H20 N6 O23 Ru9
• Calculated formula: C39 H20 N6 O23 Ru9
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456(C#[O])(C#[O])[N]71[Ru]1824(C#[O])(C#[O])[O]243[Ru]39%10%11(C#[O])(C#[O])C(=O)[Ru]52%10(C#[O])(C#[O])[n]2c(cccc2C)[NH]3[Ru]236784%11(C(=O)[Ru]4563(C#[O])(C#[O])[NH]3c7cccc(C)[n]7[Ru]6(C#[O])(C#[O])(C#[O])[Ru]153(C#[O])(C#[O])[O]924)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: 12.6444 ± 0.0003 Å
• b: 13.3104 ± 0.0002 Å
• c: 18.7836 ± 0.0003 Å
• α: 87.741 ± 0.001°
• β: 87.401 ± 0.001°
• γ: 75.315 ± 0.001°
• Cell volume: 3053.63 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No