Information card for entry 4073268

Structure parameters

• Formula: C35 H32 N2 O15 Ru7
• Calculated formula: C35 H32 N2 O15 Ru7
• SMILES: [CH]1(=[CH]2[CH]3=[CH]4[CH]5=[CH]6C[Ru]78956(C(=O)[Ru]56%10%118(C#[O])C(=O)[Ru]8%12%13%10(C(=O)[Ru]%10%14%15%16%12(C#[O])(C#[O])N%1258c5cccc(C)[n]5[Ru]%14(C#[O])(C#[O])(C#[O])[Ru]576%10%12(C#[O])(C#[O])[Ru]12349%11%13%15(C#[O])[H]%165)(C#[O])C#[O])C#[O])CC.CCCCC
• Title of publication: Ruthenium Cluster Mediated Transformation of Linear Alkenes into Trienyl Ligands. Activation of Five C(sp3)−H Bonds of 1-Octene, 1-Nonene, and 1-Decene
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2482
• a: 10.678 ± 0.012 Å
• b: 29.84 ± 0.03 Å
• c: 14.767 ± 0.016 Å
• α: 90°
• β: 109.14 ± 0.02°
• γ: 90°
• Cell volume: 4445 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No