Information card for entry 4100556

Structure parameters

• Common name: 1,3-diphenylcyclopenta[c]thienyltricarbonylmanganese
• Formula: C22 H13 Mn O3 S
• Calculated formula: C22 H13 Mn O3 S
• SMILES: [Mn]1234([C]56=C(SC(=[C]46[CH]3=[CH]2C15)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• 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: 11.1212 ± 0.0002 Å
• b: 13.214 ± 0.0002 Å
• c: 13.3159 ± 0.0003 Å
• α: 66.5713 ± 0.0009°
• β: 85.037 ± 0.0009°
• γ: 76.7723 ± 0.0009°
• Cell volume: 1747.85 ± 0.06 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No