Information card for entry 4067991

Structure parameters

• Formula: C24 H10 Cl2 N2 O11 Ru4
• Calculated formula: C24 H10 Cl2 N2 O11 Ru4
• SMILES: [c]123[c]45[c]67[cH]8[cH]9[cH]1[Ru]35789(C#[O])(C#[O])[Ru]135(C#[O])(C#[O])C(=O)[Ru]73(C(=O)[Ru]257(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[N]41c1c(cccc1)N6.C(Cl)Cl
• Title of publication: Reaction of [Ru3(CO)12] with Phenazine: Synthesis of C-Metalated Derivatives That Formally Arise from a C‒H Oxidative Addition or a Long-Distance C-to-N Prototropy
• Authors of publication: Cabeza, Javier A.; García-Álvarez, Pablo; Pruneda, Vanessa
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 941
• a: 10.0952 ± 0.0004 Å
• b: 11.9576 ± 0.0007 Å
• c: 12.6553 ± 0.0007 Å
• α: 103.652 ± 0.005°
• β: 110.86 ± 0.004°
• γ: 90.282 ± 0.004°
• Cell volume: 1380.54 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No