Information card for entry 4100966

Structure parameters

• Formula: C36.5 H28 Cl Co N6 O7
• Calculated formula: C36 H27 Co N6 O7
• SMILES: [Co]1234(Oc5ccccc5C=[N]2[C@H](c2cccc5ccc[n]4c25)[C@H]([N]3=Cc2c(O1)cccc2)c1ccc(N(=O)=O)cc1)[n]1ccccc1.O=N(=O)[O-].[Co]1234(Oc5ccccc5C=[N]2[C@@H](c2cccc5ccc[n]4c25)[C@@H]([N]3=Cc2c(O1)cccc2)c1ccc(N(=O)=O)cc1)[n]1ccccc1.O=N(=O)[O-]
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 25.5931 ± 0.0012 Å
• b: 10.2487 ± 0.0005 Å
• c: 27.0553 ± 0.0013 Å
• α: 90°
• β: 91.349 ± 0.002°
• γ: 90°
• Cell volume: 7094.5 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No