Information card for entry 4080041

Structure parameters

• Formula: C34 H23 B F4 N4 O6 Ru2
• Calculated formula: C34 H23 B F4 N4 O6 Ru2
• SMILES: [Ru]123([Ru]([n]4c5[n]2c(c2cccc(OC)c32)ccc5ccc4)([n]2c(ccc3ccc[n]1c23)c1cc(OC)ccc1)(C#[O])C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: Understanding C‒H Bond Activation on a Diruthenium(I) Platform
• Authors of publication: Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 340
• a: 17.116 ± 0.0016 Å
• b: 12.9707 ± 0.0012 Å
• c: 28.893 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6414.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No