Information card for entry 4100553

Structure parameters

• Formula: C48 H41 F3 P3 Rh
• Calculated formula: C48 H41 F3 P3 Rh
• SMILES: [Rh]([P](F)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[F][H]F
• 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: 12.4782 ± 0.0009 Å
• b: 20.1446 ± 0.0014 Å
• c: 16.0477 ± 0.0011 Å
• α: 90°
• β: 95.785 ± 0.001°
• γ: 90°
• Cell volume: 4013.3 ± 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