Information card for entry 7108078

Structure parameters

• Formula: C12 H10 B F3 Mn N O5
• Calculated formula: C12 H10 B F3 Mn N O5
• SMILES: [Mn]12([n]3ccccc3C([O]1[B](F)(F)F)CC(=[O]2)C)(C#[O])(C#[O])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: 7.089 ± 0.007 Å
• b: 7.997 ± 0.008 Å
• c: 13.897 ± 0.01 Å
• α: 97.627 ± 0.016°
• β: 96.696 ± 0.015°
• γ: 105.95 ± 0.015°
• Cell volume: 741.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No