Information card for entry 4100555

Structure parameters

• Common name: 1,3-dimethylcyclopenta[c]thienyltricarbonylmanganese
• Formula: C12 H9 Mn O3 S
• Calculated formula: C12 H9 Mn O3 S
• SMILES: S1=C([c]23[cH]4[cH]5[Mn]624([c]3(C=1C)[cH]56)(C#[O])(C#[O])C#[O])C
• Title of publication: Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge
• Authors of publication: Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.4449 ± 0.0003 Å
• b: 9.0872 ± 0.0004 Å
• c: 9.9654 ± 0.0006 Å
• α: 90 ± 0.002°
• β: 96.794 ± 0.0019°
• γ: 90 ± 0.002°
• Cell volume: 579.54 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No