Information card for entry 7110789

Structure parameters

• Formula: C28 H18 Mo N2 O12 Ru3
• Calculated formula: C28 H18 Mo N2 O12 Ru3
• SMILES: [Ru]12([Ru]([Mo]2([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(=Nc1c(cccc1C)C)=Nc1c(cccc1C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Clusters containing metal‒metal bonds linking high- and low-valent metal centres: synthesis and structure of Ru3(CO)12{Mo(NAr)2}
• Authors of publication: Ali, Shahbano; Deeming, Antony J.; Hogarth, Graeme; Carty, Arthur J.; Enright, Gary D.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 123
• a: 19.409 ± 0.004 Å
• b: 9.887 ± 0.002 Å
• c: 17.947 ± 0.004 Å
• α: 90°
• β: 109.98 ± 0.03°
• γ: 90°
• Cell volume: 3236.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0441
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No