Information card for entry 4068337

Structure parameters

• Formula: C4 H9 B7 Mn N O4
• Calculated formula: C4 H9 B7 Mn N O4
• SMILES: [Mn]1234([C]56(O)[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[CH]691)(C#[O])(C#[O])N=O
• Title of publication: 10-Vertex Manganese−Dicarbollide Complexes from a Monocarbon Precursor. Synthesis and Cluster Vertex Functionalization of [1-OH-2,2,2-(CO)3-closo-2,1,10-MnC2B7H8]−
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 225
• a: 7.4747 ± 0.0005 Å
• b: 11.5795 ± 0.0008 Å
• c: 19.5413 ± 0.0015 Å
• α: 86.705 ± 0.002°
• β: 82.216 ± 0.002°
• γ: 89.562 ± 0.002°
• Cell volume: 1673 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No