Information card for entry 4101071

Structure parameters

• Formula: C44 H42 Mn4 N16 O12
• Calculated formula: C44 H42 Mn4 N16 O12
• SMILES: c1cccc2[n]1[Mn]134(N=C=NC#N)([O]5Cc6[n](cccc6)[Mn]6785[n]5ccccc5C[O]8[Mn]589([n]%10ccccc%10C[O]75[Mn]57([n]%10ccccc%10C[O]45)([n]4ccccc4C[O]87)[O]36C2)(N=C=NC#N)ON(=[O]9)=O)ON(=[O]1)=O.N#CC.N#CC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 11.151 ± 0.003 Å
• b: 10.043 ± 0.002 Å
• c: 23.047 ± 0.005 Å
• α: 90°
• β: 102.57 ± 0.002°
• γ: 90°
• Cell volume: 2519.4 ± 1 ų
• Cell temperature: 93.1 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