Information card for entry 7026783

Structure parameters

• Formula: C54 H45 B O3.5 Ru2
• Calculated formula: C54 H45 B O3.5 Ru2
• SMILES: [Ru]123456([Ru]789%10%11([cH]%12[cH]7[cH]8[cH]9[cH]%10%12)(C5=O)(C#[O])[CH]6=[C]%11=C(c5ccccc5)c5ccccc5)([cH]5[cH]4[cH]3[cH]2[cH]15)C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 56.255 ± 0.006 Å
• b: 9.6487 ± 0.001 Å
• c: 36.085 ± 0.004 Å
• α: 90°
• β: 114.947 ± 0.001°
• γ: 90°
• Cell volume: 17759 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No