Information card for entry 4072834

Structure parameters

• Formula: C33 H22 N2 O15 Ru7
• Calculated formula: C33 H22 N2 O15 Ru7
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567(C#[O])(C#[O])N891[Ru]1%10%1123(C(=O)[Ru]2391(C(=O)[Ru]19482(C#[O])C(=O)[Ru]24869(C6[c]9%12[c]%13([cH]%14[cH]%15[cH]%16[cH]9[Ru]5%1031%14%12%132%16%15[H]7%11)[CH]4=[CH]86)C#[O])(C#[O])C#[O])(C#[O])C#[O].C1CCCO1
• Title of publication: Reactivity of Indene, Fluorene, Azulene, and Acenaphthylene with a Basal-Edge-Bridged Square-Pyramidal Hexaruthenium Dihydride
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1414
• a: 10.367 ± 0.003 Å
• b: 12.976 ± 0.003 Å
• c: 14.7 ± 0.004 Å
• α: 100.509 ± 0.004°
• β: 95.774 ± 0.005°
• γ: 92.632 ± 0.004°
• Cell volume: 1930.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No