Information card for entry 4069896

Structure parameters

• Formula: C12 H23 Co O2 P2 S
• Calculated formula: C12 H23 Co O2 P2 S
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)(S/C=C\C=C)(C#[O])C#[O]
• Title of publication: Synthesis, Structure, Spectroscopy, and Reactivity of Thiapentadienyl-Cobalt-Phosphine Complexes(1)
• Authors of publication: Bleeke, John R.; Lutes, Bryn L.; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4577
• a: 8.722 ± 0.0005 Å
• b: 9.4726 ± 0.0007 Å
• c: 10.5396 ± 0.0008 Å
• α: 89.688 ± 0.005°
• β: 78.641 ± 0.004°
• γ: 86.959 ± 0.004°
• Cell volume: 852.51 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No