Information card for entry 4066750

Structure parameters

• Formula: C22 H38 Co2 O4 P2
• Calculated formula: C22 H38 Co2 O4 P2
• SMILES: [C]12(=[CH2][Co]2(C1)(C#[O])(C#[O])[P](CC)(CC)CC)[C]12=[CH2][Co]2(C1)(C#[O])(C#[O])[P](CC)(CC)CC
• 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: 6.9927 ± 0.0002 Å
• b: 14.0728 ± 0.0002 Å
• c: 13.3788 ± 0.0002 Å
• α: 90°
• β: 101.281 ± 0.0005°
• γ: 90°
• Cell volume: 1291.13 ± 0.05 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: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No