Information card for entry 7108074

Structure parameters

• Formula: C24 H20 Mn2 N2 O10
• Calculated formula: C24 H20 Mn2 N2 O10
• SMILES: [Mn]12([O]3[Mn]([n]4ccccc4[C@@H]3CC(=O)C)(C#[O])(C#[O])(C#[O])[O]2[C@H](c2[n]1cccc2)CC(=O)C)(C#[O])(C#[O])C#[O].[Mn]12([O]3[Mn]([n]4ccccc4[C@H]3CC(=O)C)(C#[O])(C#[O])(C#[O])[O]2[C@@H](c2[n]1cccc2)CC(=O)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: 9.02 ± 0.003 Å
• b: 9.148 ± 0.003 Å
• c: 17.351 ± 0.006 Å
• α: 105.056 ± 0.006°
• β: 90.211 ± 0.006°
• γ: 109.425 ± 0.006°
• Cell volume: 1297.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No