Information card for entry 4087354

Structure parameters

• Formula: C21 H8 Co4 O12
• Calculated formula: C21 H8 Co4 O12
• SMILES: [Co]12([Co]3([C]1(C14CC(C1)(C4)[C]14[Co]5([Co]1([CH]=45)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage
• Authors of publication: Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 967
• a: 7.002 ± 0.0004 Å
• b: 12.7969 ± 0.0006 Å
• c: 14.5847 ± 0.0006 Å
• α: 105.088 ± 0.004°
• β: 93.362 ± 0.004°
• γ: 100.703 ± 0.004°
• Cell volume: 1231.94 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No