Information card for entry 4068344

Structure parameters

• Formula: C18 H21 B7 Mn N O3
• Calculated formula: C18 H21 B7 Mn N O3
• SMILES: [CH]123[Mn]456([BH]781[BH]192[BH]234[BH]349[BH]981[B]157([B]623([CH]491)c1ccc(cc1)C)c1ccc(cc1)C)(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: 29.28 ± 0.004 Å
• b: 7.7347 ± 0.0013 Å
• c: 22.093 ± 0.003 Å
• α: 90°
• β: 124.244 ± 0.004°
• γ: 90°
• Cell volume: 4136.1 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No