Information card for entry 7108083

Structure parameters

• Formula: C37 H44 B Mn N O5 P
• Calculated formula: C37 H44 B Mn N O5 P
• SMILES: [Mn]12(C#[O])(C#[O])([n]3ccccc3C[O]1[B](OC=2CC)(CC)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1OCCC1
• 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: 12.581 ± 0.006 Å
• b: 17.889 ± 0.009 Å
• c: 16.664 ± 0.009 Å
• α: 90°
• β: 106.245 ± 0.011°
• γ: 90°
• Cell volume: 3601 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No