Information card for entry 4311814

Structure parameters

• Formula: C56 H38 N2 O14 P2 Ru6
• Calculated formula: C56 H38 N2 O14 P2 Ru6
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Ru]34567(C(=O)[Ru]89%105(C(=O)[Ru]5%11%129(C#[O])(C#[O])[N]138[Ru]13245(C#[O])(C#[O])[Ru]6%10%11(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)([H]%121)[H]73)(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: 13.4886 ± 0.0004 Å
• b: 14.8157 ± 0.0004 Å
• c: 18.3555 ± 0.0005 Å
• α: 69.068 ± 0.002°
• β: 74.458 ± 0.002°
• γ: 63.29 ± 0.002°
• Cell volume: 3035.1 ± 0.16 ų
• Cell temperature: 200 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No