Information card for entry 4078327

Structure parameters

• Chemical name: Bis(pentamethylcyclopentadienylaluminium)-dicobalthexacarbonyl
• Formula: C26 H30 Al2 Co2 O6
• Calculated formula: C26 H30 Al2 Co2 O6
• SMILES: [Co]12([Co]([Al]34561[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)([Al]13452[c]2([c]5([c]4([c]3([c]12C)C)C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structure, and Bonding of a Polyhedral Al2Co2Cluster
• Authors of publication: Üffing, Christoph; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg
• Journal of publication: Organometallics
• Year of publication: 1998
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2373
• a: 17.434 ± 0.005 Å
• b: 8.927 ± 0.005 Å
• c: 17.45 ± 0.005 Å
• α: 90°
• β: 93.41 ± 0.03°
• γ: 90°
• Cell volume: 2711 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1666
• Weighted residual factors for significantly intense reflections: 0.1111
• Goodness-of-fit parameter for all reflections: 1.176
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No