Information card for entry 4100999

Structure parameters

• Formula: C86 H132 Fe2 N8
• Calculated formula: C86 H132 Fe2 N8
• SMILES: [N]([Fe]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)[n]1ccc(cc1)C(C)(C)C)#[N][Fe]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)[n]1ccc(cc1)C(C)(C)C.CCCCC.CCCCC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 13.363 ± 0.004 Å
• b: 21.255 ± 0.006 Å
• c: 29.433 ± 0.008 Å
• α: 90°
• β: 96.299 ± 0.004°
• γ: 90°
• Cell volume: 8310 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No