Information card for entry 7108075

Structure parameters

• Formula: C12 H11 Cl Mn N O9
• Calculated formula: C12 H11 Cl Mn N O9
• SMILES: [Mn]12([n]3ccccc3C([OH]1)CC(=[O]2)C)(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[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: 14.101 ± 0.002 Å
• b: 9.0131 ± 0.0015 Å
• c: 13.155 ± 0.002 Å
• α: 90°
• β: 94.292 ± 0.004°
• γ: 90°
• Cell volume: 1667.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No