Information card for entry 4100524

Structure parameters

• Formula: C21 H16 Mn2 O5
• Calculated formula: C21 H16 Mn2 O5
• SMILES: [Mn]123456([Mn]789([c]%10%11[cH]7[cH]8[c]79[c]86[c]1([cH]2[cH]3[c]4([c]5%108)CCC%11)CCC7)(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.6434 ± 0.0014 Å
• b: 15.0779 ± 0.0017 Å
• c: 12.3093 ± 0.0019 Å
• α: 90°
• β: 90.289 ± 0.012°
• γ: 90°
• Cell volume: 1789.8 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No