Information card for entry 7108082

Structure parameters

• Formula: C18 H12 Mn2 N2 O8
• Calculated formula: C18 H12 Mn2 N2 O8
• SMILES: C(#[O])[Mn]12(C#[O])([n]3ccccc3C[O]1[Mn]1(C#[O])(C#[O])(C#[O])[n]3ccccc3C[O]21)C#[O]
• Title of publication: Intramolecular carboboration of carbonyl ligands to form boroxycarbenes
• Authors of publication: Celedonio M. Alvarez; Romen Carrillo; Raul Garcia-Rodriguez; Daniel Miguel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7705
• a: 10.874 ± 0.002 Å
• b: 10.94 ± 0.002 Å
• c: 15.741 ± 0.004 Å
• α: 90°
• β: 91.706 ± 0.004°
• γ: 90°
• Cell volume: 1871.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No