Information card for entry 4100317

Structure parameters

• Formula: C32 H80 Br10 Fe4 N6
• Calculated formula: C32 H80 Br10 Fe4 N6
• SMILES: C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C.N1([Fe]2(Br)(N([Fe]12(Br)Br)[Fe](Br)(Br)Br)Br)[Fe](Br)(Br)Br.C(C)[N+](CC)(CC)CC.C([N+](CC)(CC)CC)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.502 ± 0.003 Å
• b: 11.882 ± 0.003 Å
• c: 12.206 ± 0.003 Å
• α: 108.305 ± 0.005°
• β: 103.908 ± 0.005°
• γ: 107.892 ± 0.005°
• Cell volume: 1398.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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