Information card for entry 7711375

Structure parameters

• Formula: C26 H21 Cl O2 Ru2
• Calculated formula: C26 H21 Cl O2 Ru2
• SMILES: [Ru]123456([Ru]789%10%11(Cl)([C]1(=[CH]7c1ccccc1)c1ccccc1)(C2=O)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Alkyne–alkenyl coupling at a diruthenium complex
• Authors of publication: Bresciani, Giulio; Boni, Serena; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.4345 ± 0.0004 Å
• b: 14.0906 ± 0.0005 Å
• c: 16.9952 ± 0.0006 Å
• α: 90°
• β: 104.735 ± 0.001°
• γ: 90°
• Cell volume: 2185 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0203
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No