Information card for entry 7024057

Structure parameters

• Formula: C16 H18 Co3 N O7 S3
• Calculated formula: C16 H18 Co3 N O7 S3
• SMILES: [Co]123([Co]45([Co]1(C#[O])(C#[O])([S]1C([S]4C([S]2C1C)C)C)C35C(=O)N(C)C)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.
• Authors of publication: Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Fox, Mark A.; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1222 - 1234
• a: 14.696 ± 0.002 Å
• b: 9.769 ± 0.001 Å
• c: 15.877 ± 0.002 Å
• α: 90°
• β: 108.114 ± 0.002°
• γ: 90°
• Cell volume: 2166.4 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No