Information card for entry 4083059

Structure parameters

• Formula: C10 H21 B3 Mn N3 O3
• Calculated formula: C10 H21 B3 Mn N3 O3
• SMILES: [Mn]1234([N]5(C)[B]3([N]2(C)[B]4([N]1(C)[B]5(C)C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation
• Authors of publication: Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1540
• a: 7.3606 ± 0.0003 Å
• b: 14.9688 ± 0.0012 Å
• c: 15.5742 ± 0.0008 Å
• α: 113.175 ± 0.007°
• β: 90.433 ± 0.004°
• γ: 90.646 ± 0.003°
• Cell volume: 1577.26 ± 0.18 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No