Information card for entry 7711376

Structure parameters

• Formula: C40 H31 B F4 O2 Ru2
• Calculated formula: C40 H31 B F4 O2 Ru2
• SMILES: [Ru]123456([Ru]789%10%11%12%13(C1=O)([C]2(=[C]7([C]8(=[CH]9c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.[B](F)(F)(F)[F-]
• 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: 27.3698 ± 0.0008 Å
• b: 18.0419 ± 0.0005 Å
• c: 16.5162 ± 0.0005 Å
• α: 90°
• β: 124.791 ± 0.001°
• γ: 90°
• Cell volume: 6697.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No