Information card for entry 4075247

Structure parameters

• Formula: C25 H12 N2 O14 Ru6
• Calculated formula: C25 H12 N2 O14 Ru6
• SMILES: c12cccc(C)[n]2[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34567([C]8(=O)[Ru]9%10%115(C(=O)[Ru]5%12%13%10(C(=O)[Ru]%1024%12(C#[O])(C#[O])(N1395)[Ru]123468%11%13([cH]5[cH]1[cH]2[cH]3[cH]45)[H]7%10)(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: 10.377 ± 0.003 Å
• b: 30.051 ± 0.008 Å
• c: 10.964 ± 0.003 Å
• α: 90°
• β: 115.848 ± 0.004°
• γ: 90°
• Cell volume: 3076.9 ± 1.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No