Information card for entry 4069895

Structure parameters

• Formula: C20 H46 Co2 P4 S2
• Calculated formula: C20 H46 Co2 P4 S2
• SMILES: [Co]123([S]([Co]456([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]4[CH]5=[CH]6S1)[CH]3=[CH]2C=C)([P](C)(C)C)[P](C)(C)C
• 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: 17.205 ± 0.0019 Å
• b: 14.5502 ± 0.0016 Å
• c: 11.8771 ± 0.0011 Å
• α: 90°
• β: 105.104 ± 0.004°
• γ: 90°
• Cell volume: 2870.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0748
• 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