Information card for entry 4300501

Structure parameters

• Formula: C21 H36 B Cu F4 N9 O5 S
• Calculated formula: C21 H36 B Cu F4 N9 O5 S
• SMILES: C1(=N[N]2=C(C(C)=[N]3Nc4ccc(c[n]4[Cu]23S1)C(=O)O)C)NC.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.[B](F)(F)(F)[F-]
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 9.0484 ± 0.0007 Å
• b: 11.5628 ± 0.0009 Å
• c: 15.6099 ± 0.0013 Å
• α: 76.977 ± 0.002°
• β: 78.666 ± 0.001°
• γ: 70.355 ± 0.002°
• Cell volume: 1485.5 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 293 ± 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