Information card for entry 7027888

Structure parameters

• Formula: C22 H11 Co3 O8 S
• Calculated formula: C22 H11 Co3 O8 S
• SMILES: [Co]123([Co]4([Co]1([S]24)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])[O]=C(C=C3c1ccccc1)c1ccccc1
• Title of publication: Nature of previously reported thermally unstable products derived from the reaction of [Co2(CO)8] with PhSSPh, EtSSEt or PhSeSePh and of the reactions of these products with alkynes or isocyanides
• Authors of publication: Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Vallipuram; Shields, Gregory P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 5
• Pages of publication: 775
• a: 11.422 ± 0.002 Å
• b: 13.324 ± 0.002 Å
• c: 7.872 ± 0.002 Å
• α: 91.42 ± 0.02°
• β: 98.71 ± 0.02°
• γ: 93.64 ± 0.01°
• Cell volume: 1181.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.0778
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No