Information card for entry 4066748

Structure parameters

• Common name: TME Co Carbonyl oxidised
• Chemical name: [Co(CO)3]TME[Co(CO)2]BF4
• Formula: C11 H8 B Co2 F4 O5
• Calculated formula: C11 H8 B Co2 F4 O5
• SMILES: [Co]12([C](=[CH2]1)(C2)[C]12[Co]([CH2]=1)(C2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[F][B](F)(F)F
• 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: 7.4109 ± 0.0002 Å
• b: 12.9909 ± 0.0003 Å
• c: 15.0675 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450.61 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No