Information card for entry 4075248

Structure parameters

• Formula: C27 H18 N2 O11 Ru6
• Calculated formula: C27 H18 N2 O11 Ru6
• SMILES: [Ru]123456([Ru]789%10%11([Ru]1([n]1c(N%1249[Ru]492([Ru]2%13%14%15%16%177%12([Ru]7%12%18%19384([cH]3[cH]7[cH]%12[cH]%18[cH]%193)([C]%10%16=O)([H]6%11)[H]9%17)[cH]3[cH]2[cH]%13[cH]%14[cH]%153)(C5=O)(C#[O])C#[O])cccc1C)(C#[O])(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: 21.283 ± 0.007 Å
• b: 16.692 ± 0.005 Å
• c: 17.63 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6263 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No