Information card for entry 4080042

Structure parameters

• Formula: C34 H23 B F4 N4 O6 Ru2
• Calculated formula: C34 H23 B F4 N4 O6 Ru2
• SMILES: [Ru]123([Ru](C#[O])([n]4c(c5ccc(cc5)OC)ccc5ccc[n]3c45)([n]3c4[n]1c(ccc4ccc3)c1c2cc(OC)cc1)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: 14.986 ± 0.003 Å
• b: 16.923 ± 0.004 Å
• c: 25.396 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6441 ± 2 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: 0.1628
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No