Information card for entry 4066751

Structure parameters

• Formula: C34 H62 Co2 O4 P2
• Calculated formula: C34 H62 Co2 O4 P2
• SMILES: C(#[O])[Co]12(C#[O])([CH2]=[C]1(C2)[C]12=[CH2][Co]2(C#[O])(C#[O])(C1)[P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC
• 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: 9.7293 ± 0.0002 Å
• b: 9.7312 ± 0.0002 Å
• c: 10.5514 ± 0.0003 Å
• α: 93.519 ± 0.001°
• β: 102.906 ± 0.001°
• γ: 101.657 ± 0.001°
• Cell volume: 947.71 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No