Information card for entry 4100530

Structure parameters

• Formula: C38 H20 B2 F8 Mn2 O6
• Calculated formula: C38 H20 B2 F8 Mn2 O6
• SMILES: [Mn]12345([cH]6[cH]1[c]12ccc2cccc7cc[c]3([cH]46)[c]51c27)(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: 10.5826 ± 0.0007 Å
• b: 18.6465 ± 0.0012 Å
• c: 17.0073 ± 0.0011 Å
• α: 90°
• β: 98.474 ± 0.001°
• γ: 90°
• Cell volume: 3319.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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