Information card for entry 7101026

Structure parameters

• Formula: C53 H52 Mn N6 Ni2 O7
• Calculated formula: C53 H52 Mn N6 Ni2 O7
• SMILES: [Ni]12345[O]6[Mn]789([O]1c1c(C=[N]4CC(C)(C[N]3=Cc3c6cccc3)C[N]5=Cc3c([O]27)cccc3)cccc1)[O]1[Ni]2345[O]8c6c(C=[N]4CC(C)(C[N]3=Cc3c1cccc3)C[N]5=Cc1ccccc1[O]92)cccc6.OC
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 16.3186 ± 0.0008 Å
• b: 16.1878 ± 0.0011 Å
• c: 18.4263 ± 0.0014 Å
• α: 90°
• β: 108.443 ± 0.003°
• γ: 90°
• Cell volume: 4617.5 ± 0.5 ų
• Cell temperature: 123.1 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