Information card for entry 4066747

Structure parameters

• Common name: TME Cobalt carbonyl
• Chemical name: TME[Co(CO)3]2
• Formula: C12 H8 Co2 O6
• Calculated formula: C12 H8 Co2 O6
• SMILES: [C]12(=[CH2][Co]2(C1)(C#[O])(C#[O])C#[O])[C]12=[CH2][Co]2(C1)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structure, and Ligand Exchange Reactions of Tetramethyleneethane Complexes of Cobalt
• Authors of publication: Aguirre-Etcheverry, Paulina; Ashley, Andrew E.; Balázs, Gábor; Green, Jennifer C.; Cowley, Andrew R.; Thompson, Amber L.; O’Hare, Dermot
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5847
• a: 6.6398 ± 0.0002 Å
• b: 6.7052 ± 0.0002 Å
• c: 8.146 ± 0.0003 Å
• α: 88.3649 ± 0.0014°
• β: 78.8043 ± 0.0014°
• γ: 76.2844 ± 0.0016°
• Cell volume: 345.56 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1439
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No