Information card for entry 7024060

Structure parameters

• Formula: C34 H28 Au Cl3 Co3 O6 P S3
• Calculated formula: C34 H28 Au Cl3 Co3 O6 P S3
• SMILES: [Au](C#CC12[Co]34([Co]51([Co]23([S]1C([S]4C([S]5C1C)C)C)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• 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: 21.634 ± 0.003 Å
• b: 15.125 ± 0.002 Å
• c: 25.67 ± 0.003 Å
• α: 90°
• β: 109.336 ± 0.002°
• γ: 90°
• Cell volume: 7925.8 ± 1.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No