Information card for entry 4082072

Structure parameters

• Formula: C18 H10 Br2 O6 Ru2 Se2
• Calculated formula: C18 H10 Br2 O6 Ru2 Se2
• SMILES: [Ru]1(Br)([Se]([Ru](Br)([Se]1c1ccccc1)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond
• Authors of publication: Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7292
• a: 8.8789 ± 0.0008 Å
• b: 11.2063 ± 0.001 Å
• c: 23.799 ± 0.002 Å
• α: 90°
• β: 99.764 ± 0.01°
• γ: 90°
• Cell volume: 2333.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No