Information card for entry 4100512

Structure parameters

• Common name: CoTUP
• Formula: C52 H60 Co N12 O12 S
• Calculated formula: C52 H60 Co N12 O12 S
• SMILES: c1c(NC(=O)Nc2ccc(cc2)C)ccc[n]1[Co]([n]1cccc(NC(=O)Nc2ccc(cc2)C)c1)([OH2])([OH2])([n]1cccc(c1)NC(=O)Nc1ccc(cc1)C)[n]1cccc(NC(=O)Nc2ccc(cc2)C)c1.[O-]S(=O)(=O)[O-].O.O
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 18.084 ± 0.003 Å
• b: 18.084 ± 0.003 Å
• c: 8.054 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2633.9 ± 0.9 ų
• Cell temperature: 30 ± 2 K
• Ambient diffraction temperature: 30 ± 2 K
• Number of distinct elements: 6
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No