Information card for entry 7027887

Structure parameters

• Formula: C18 H14 Co3 N O7 S
• Calculated formula: C18 H14 Co3 N O7 S
• SMILES: [Co]123([Co]4([Co]1([S]24)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C(=[N]3C(C)(C)C)c1ccccc1)(C#[O])C#[O]
• 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: 8.797 ± 0.002 Å
• b: 15.793 ± 0.003 Å
• c: 8.5066 ± 0.0011 Å
• α: 104.259 ± 0.013°
• β: 101.344 ± 0.013°
• γ: 83.24 ± 0.02°
• Cell volume: 1120.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.2068
• Weighted residual factors for significantly intense reflections: 0.1474
• Goodness-of-fit parameter for all reflections: 1.296
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No