Information card for entry 4075249

Structure parameters

• Formula: C28 H16 N2 O12 Ru5
• Calculated formula: C28 H16 N2 O12 Ru5
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]3456([C]789[C]%10%113C3CC7C7C[CH]%12=[CH](C37)[Ru]37%139%11%12(C(=O)[Ru]2587(C#[O])(C#[O])N143[Ru]6%10%13(C#[O])(C#[O])C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2683
• a: 8.858 ± 0.002 Å
• b: 14.857 ± 0.003 Å
• c: 23.261 ± 0.005 Å
• α: 90°
• β: 93.376 ± 0.004°
• γ: 90°
• Cell volume: 3055.9 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No