Information card for entry 4075852

Structure parameters

• Formula: C66 H26 N2 O30 P2 Ru12
• Calculated formula: C66 H26 N2 O30 P2 Ru12
• SMILES: C(#[O])[Ru]12345(C#[O])[P](c6[n]([Ru]7892(C#[O])(C#[O])[C]2%10%111[Ru]1%12%13%147(C#[O])(C#[O])C(=O)[Ru]48%10%12(C#[O])(C#[O])[Ru]321(C#[O])(C#[O])(C#[O])[Ru]59%11%14(C%13=O)(C#[O])C#[O])ccc(c6)c1cc[n]2c([P](c3ccccc3)(c3ccccc3)[Ru]3456(C#[O])(C#[O])[C]789%10[Ru]%11%1223(C#[O])(C#[O])[Ru]23%13%147(C#[O])(C#[O])C(=O)[Ru]6%10%12%14(C#[O])(C#[O])[Ru]483(C#[O])(C#[O])(C#[O])[Ru]59%11%13(C2=O)(C#[O])C#[O])c1)(c1ccccc1)c1ccccc1
• Title of publication: Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand
• Authors of publication: Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3516
• a: 9.9103 ± 0.0006 Å
• b: 12.8948 ± 0.0008 Å
• c: 14.9814 ± 0.001 Å
• α: 89.197 ± 0.004°
• β: 89.266 ± 0.005°
• γ: 71.65 ± 0.004°
• Cell volume: 1816.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No