Information card for entry 4083798

Structure parameters

• Formula: C34 H23 B Cl4 F4 N4 O4 Ru2
• Calculated formula: C34 H23 B Cl4 F4 N4 O4 Ru2
• SMILES: c12c(cccc1)c1[n]3[Ru]42([Ru]([n]2c5[n]4cccc5ccc2c2ccccc2)([n]2c3c(ccc2)cc1)(C#[O])C#[O])(C#[O])C#[O].ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit
• Authors of publication: Patra, Sanjib K.; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6054
• a: 8.7967 ± 0.0018 Å
• b: 13.448 ± 0.003 Å
• c: 15.832 ± 0.003 Å
• α: 86.44 ± 0.03°
• β: 88.89 ± 0.03°
• γ: 71.43 ± 0.03°
• Cell volume: 1772 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No