Information card for entry 4100529

Structure parameters

• Formula: C15 H8 B F4 Mn O3
• Calculated formula: C15 H8 B F4 Mn O3
• SMILES: [Mn]12345([cH]6[c]74C=Cc4ccc[c]5([cH]2[cH]16)[c]374)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 17.4257 ± 0.001 Å
• b: 7.8816 ± 0.0005 Å
• c: 11.0119 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.4 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No