Information card for entry 4069897

Structure parameters

• Formula: C40 H82 Co3 O P4 S4
• Calculated formula: C40 H82 Co3 O P4 S4
• 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: 14.5966 ± 0.0006 Å
• b: 21.6485 ± 0.0007 Å
• c: 16.5808 ± 0.0006 Å
• α: 90°
• β: 104.59 ± 0.002°
• γ: 90°
• Cell volume: 5070.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No