Information card for entry 7710290

Structure parameters

• Formula: C31 H27 B F4 O2 Ru2
• Calculated formula: C31 H27 B F4 O2 Ru2
• SMILES: [Ru]123456([Ru]789%10%11%12%13%14(C1(O)[C]7(=[CH]8[C]9(=[C]2%10c1ccccc1)c1ccccc1)C(=C)C)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.[B](F)(F)(F)[F-]
• Title of publication: η6-Coordinated ruthenabenzenes from three-component assembly on a diruthenium μ-allenyl scaffold
• Authors of publication: Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.7307 ± 0.0019 Å
• b: 18.031 ± 0.004 Å
• c: 31.013 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5441.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.1521
• Weighted residual factors for significantly intense reflections: 0.3418
• Weighted residual factors for all reflections included in the refinement: 0.3502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No