Information card for entry 4075243

Structure parameters

• Formula: C27 H16 N2 O14 Ru6
• Calculated formula: C27 H16 N2 O14 Ru6
• SMILES: [Ru]123456([Ru]789%10%11([Ru]1([n]1c(N%1249[Ru]492([Ru]7%12([Ru]27%12%13384(C5=O)([CH]3=[CH]2[CH]7=[CH]%12C%13CC3)[H]6%11)(C%10=O)(C9=O)(C#[O])C#[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: 11.039 ± 0.005 Å
• b: 15.971 ± 0.008 Å
• c: 18.772 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3310 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No