Information card for entry 4100527

Structure parameters

• Formula: C18 H12 Mn2 O6
• Calculated formula: C18 H12 Mn2 O6
• SMILES: [Mn]12345([c]6([cH]1[cH]2[c]3([c]14[cH]2[Mn]34([cH]2[cH]3[cH]4[c]561)(C#[O])(C#[O])C#[O])C)C)(C#[O])(C#[O])C#[O]
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.412 ± 0.003 Å
• b: 8.07 ± 0.003 Å
• c: 17.78 ± 0.004 Å
• α: 90°
• β: 102.15 ± 0.02°
• γ: 90°
• Cell volume: 1741 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1204
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No