Information card for entry 4075246

Structure parameters

• Formula: C25 H14 O10 Ru6
• Calculated formula: C25 H14 O10 Ru6
• SMILES: [Ru]123456789%10[Ru]%11%12%13%14%15([Ru]%16%17%18%191([Ru]1%20%21%223([Ru]3%23%242%11([Ru]%12%161(C%17=O)(C3=O)(C#[O])(C#[O])[C]%10%15%19%22%24)(C#[O])[CH]1[CH]%21=[CH]%20[CH]7=[CH]9C8[CH]%23=1)(C#[O])C#[O])(C#[O])[CH]1[CH]%13=[CH]%14[CH]4=[CH]5C6[CH]%18=1)(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: 32.288 ± 0.005 Å
• b: 9.925 ± 0.005 Å
• c: 17.2283 ± 0.0014 Å
• α: 90°
• β: 99.214 ± 0.013°
• γ: 90°
• Cell volume: 5450 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No