Information card for entry 4100551

Structure parameters

• Formula: C66 H57 F P3 Rh
• Calculated formula: C66 H57 F P3 Rh
• SMILES: [Rh]([P](F)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• 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: 13.3165 ± 0.0007 Å
• b: 19.8008 ± 0.0011 Å
• c: 20.23 ± 0.0011 Å
• α: 90°
• β: 100.206 ± 0.001°
• γ: 90°
• Cell volume: 5249.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No