Information card for entry 7705837

Structure parameters

• Formula: C39 H56 Cl3 O P3 Ru
• Calculated formula: C39 H56 Cl3 O P3 Ru
• SMILES: [Ru](C#[O])(/C=C/c1c2ccccc2c(c2c1cc1c(c2)cccc1)C#C)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.CCCCCC.C(Cl)Cl
• Title of publication: Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.
• Authors of publication: Ou, Ya-Ping; Zhang, Jing; Hu, Yuxuan; Yin, Jun; Chi, Chunyan; Liu, Sheng Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16877 - 16886
• a: 12.6187 ± 0.0011 Å
• b: 13.0122 ± 0.0012 Å
• c: 25.898 ± 0.002 Å
• α: 90°
• β: 96.021 ± 0.001°
• γ: 90°
• Cell volume: 4228.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 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: 0.0528
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No