Information card for entry 4075206

Structure parameters

• Formula: C10 H15 B7 Co2 O6
• Calculated formula: C10 H15 B7 Co2 O6
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[B]349([BH]981[Co]1857(C#[O])(C#[O])C(=O)[Co]498([BH]6231)(C#[O])C#[O])[O]1CCCC1
• Title of publication: Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers
• Authors of publication: Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2590
• a: 13.883 ± 0.0008 Å
• b: 14.5367 ± 0.0007 Å
• c: 17.2427 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3479.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No