Information card for entry 4311812

Structure parameters

• Formula: C22 H8 N2 O16 Ru6
• Calculated formula: C22 H8 N2 O16 Ru6
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567(C(=O)[Ru]89%105(C(=O)[Ru]5%11%129(C#[O])(C#[O])N138[Ru]13245(C#[O])(C#[O])[Ru]6%10%11(C#[O])(C#[O])(C#[O])([H]71)[H]%123)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions
• Authors of publication: Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5450 - 5458
• a: 8.8607 ± 0.0002 Å
• b: 16.7448 ± 0.0004 Å
• c: 20.6625 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3065.71 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No