Information card for entry 7100643

Structure parameters

• Formula: C45 H27 Co O6 S3
• Calculated formula: C45 H27 Co O6 S3
• SMILES: C12=C(Oc3c(C1=[S][Co]14(O2)(OC2=C(Oc5c(C2=[S]1)cccc5)c1ccccc1)OC1=C(Oc2c(C1=[S]4)cccc2)c1ccccc1)cccc3)c1ccccc1
• Authors of publication: B.L. Tran; Seth M. Cohen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 14.0289 ± 0.0007 Å
• b: 14.0289 ± 0.0007 Å
• c: 30.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5249 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No