Information card for entry 4069898

Structure parameters

• Formula: C14 H27 Co O2 P2 S
• Calculated formula: C14 H27 Co O2 P2 S
• SMILES: [Co](S/C=C(C(=C)C)\C)([P](C)(C)C)([P](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: 13.6591 ± 0.0011 Å
• b: 11.6484 ± 0.0009 Å
• c: 13.3723 ± 0.001 Å
• α: 90°
• β: 115.651 ± 0.003°
• γ: 90°
• Cell volume: 1917.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.035
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No