Information card for entry 4100549

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• 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: 6.575 ± 0.004 Å
• b: 34.86 ± 0.02 Å
• c: 6.896 ± 0.004 Å
• α: 90°
• β: 96.31 ± 0.016°
• γ: 90°
• Cell volume: 1571 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No