Information card for entry 4066753

Structure parameters

• Formula: C46 H38 Co2 O10 P2
• Calculated formula: C46 H38 Co2 O10 P2
• SMILES: C(#[O])[Co]12(C#[O])([P](Oc3ccccc3)(Oc3ccccc3)Oc3ccccc3)[CH2]=[C]1([C]13=[CH2][Co]3(C#[O])(C#[O])(C1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C2
• 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: 9.454 ± 0.0001 Å
• b: 18.3056 ± 0.0003 Å
• c: 12.1477 ± 0.0002 Å
• α: 90°
• β: 95.761 ± 0.001°
• γ: 90°
• Cell volume: 2091.68 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No