Information card for entry 4075242

Structure parameters

• Formula: C26.5 H17 Cl N2 O13 Ru6
• Calculated formula: C26.5 H17 Cl N2 O13 Ru6
• SMILES: [Ru]123456([Ru]789%10%11([Ru]1([n]1c(N%1249[Ru]492([Ru]27%12([Ru]7%12%13%14%15384([c]3([cH]7[cH]%12[cH]%13[cH]%14[cH]%153)C)([H]%102)[H]6%11)(C9=O)(C#[O])C#[O])(C5=O)(C#[O])C#[O])cccc1C)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].ClCCl
• 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: 10.417 ± 0.006 Å
• b: 10.506 ± 0.006 Å
• c: 16.286 ± 0.01 Å
• α: 86.468 ± 0.012°
• β: 89.22 ± 0.01°
• γ: 83.204 ± 0.011°
• Cell volume: 1766.4 ± 1.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No