Information card for entry 7026782

Structure parameters

• Formula: C24 H30 B Cl2 F4 N O3 Ru2
• Calculated formula: C24 H30 B Cl2 F4 N O3 Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12([cH]%13[cH]9[cH]%10[cH]%11[cH]%12%13)(C5=O)(C#[O])[CH]6=[C]57C8C(=[N+](CC)CC)OC5(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.
• Authors of publication: Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10866 - 10875
• a: 16.28 ± 0.003 Å
• b: 10.5976 ± 0.0018 Å
• c: 16.662 ± 0.003 Å
• α: 90°
• β: 92.275 ± 0.002°
• γ: 90°
• Cell volume: 2872.4 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No