Information card for entry 4100358

Structure parameters

• Formula: C36 H36 Cu N6 O4 S2
• Calculated formula: C36 H36 Cu N6 O4 S2
• SMILES: [Cu]12([n]3ccccc3CN1S(=O)(=O)c1cccc3c(N(C)C)cccc13)[n]1ccccc1CN2S(=O)(=O)c1cccc2c(N(C)C)cccc12
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 7.6658 ± 0.0018 Å
• b: 16.54 ± 0.004 Å
• c: 26.737 ± 0.006 Å
• α: 90°
• β: 91.558 ± 0.005°
• γ: 90°
• Cell volume: 3388.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No