Information card for entry 4101176

Structure parameters

• Formula: C13 H27 Cu F3 N3 O3 S
• Calculated formula: C13 H27 Cu F3 N3 O3 S
• SMILES: [Cu]1([NH](CC[NH]1C(C)(C)C)C(C)(C)C)[N]#CC.S(=O)(=O)([O-])C(F)(F)F
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 12.41 ± 0 Å
• b: 15.272 ± 0.001 Å
• c: 10.445 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1980.3 ± 0 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No