Information card for entry 4350308

Structure parameters

• Formula: C39 H20 N6 O23 Ru9
• Calculated formula: C39 H20 N6 O23 Ru9
• SMILES: [Ru]12345([Ru]6789([Ru]1(C#[O])(C#[O])(C#[O])[n]1c([N]59[Ru]59%1026([Ru]26%11%12([Ru]3([O]4896)(C%11=O)(C#[O])(C#[O])[n]3c([NH]%10%12)cccc3C)([Ru]346([Ru]87([Ru]3(C#[O])(C#[O])(C#[O])[n]3c([NH]68)cccc3C)([O]524)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])cccc1C)(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: 15.632 ± 0.007 Å
• b: 14.108 ± 0.006 Å
• c: 24.727 ± 0.011 Å
• α: 90°
• β: 106.252 ± 0.007°
• γ: 90°
• Cell volume: 5235 ± 4 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: 0.0625
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No