Information card for entry 4075245

Structure parameters

• Formula: C34 H28 N2 O11 Ru6
• Calculated formula: C34 H28 N2 O11 Ru6
• SMILES: [Ru]1234([Ru]56789%10%11([Ru]1([n]1c(N%1247[Ru]47%13%14%15%162([Ru]5%12([Ru]25%12%17364(C3[CH]%14=[CH]%13[CH]%16=[CH]%15[CH]5=[CH]23)C2[CH]9=[CH]8[CH]%11=[CH]%10[CH]%17=[CH]%122)(C7=O)(C#[O])C#[O])C#[O])cccc1C)(C#[O])(C#[O])C#[O])C#[O])(C#[O])C#[O].O1CCCC1
• 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: 10.32 ± 0.003 Å
• b: 10.367 ± 0.003 Å
• c: 17.432 ± 0.005 Å
• α: 98.535 ± 0.006°
• β: 101.697 ± 0.006°
• γ: 97.669 ± 0.006°
• Cell volume: 1780.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No