Information card for entry 7024059

Structure parameters

• Formula: C18 H21 Co3 O6 S3 Si
• Calculated formula: C18 H21 Co3 O6 S3 Si
• SMILES: [Co]123([Co]45([Co]1([S]1C([S]2C([S]4C1C)C)C)(C#[O])(C#[O])C35C#C[Si](C)(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: 19.192 ± 0.004 Å
• b: 19.192 ± 0.004 Å
• c: 14.169 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5218.9 ± 1.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No