Information card for entry 4100163

Structure parameters

• Formula: C31 H44 Cl2 Cu F6 N6 O3 P
• Calculated formula: C31 H44 Cl2 Cu F6 N6 O3 P
• SMILES: [Cu]([N](=O)c1ccc(N(CC)CC)cc1)([N](=O)c1ccc(N(CC)CC)cc1)[N](=O)c1ccc(N(CC)CC)cc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.396 ± 0.007 Å
• b: 14.281 ± 0.011 Å
• c: 16.138 ± 0.013 Å
• α: 68.477 ± 0.007°
• β: 84.072 ± 0.007°
• γ: 86.267 ± 0.007°
• Cell volume: 1790 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No