Information card for entry 4066752

Structure parameters

• Formula: C46 H38 Co2 O4 P2
• Calculated formula: C46 H38 Co2 O4 P2
• SMILES: C(#[O])[Co]12([C]([C]34C[Co]4(C#[O])(C#[O])([CH2]=3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)(=[CH2]1)C2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)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: 9.4902 ± 0.0002 Å
• b: 9.548 ± 0.0002 Å
• c: 10.3123 ± 0.0002 Å
• α: 92.954 ± 0.001°
• β: 95.132 ± 0.001°
• γ: 95.769 ± 0.001°
• Cell volume: 924.23 ± 0.03 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: 0.0579
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No