Information card for entry 4101006

Structure parameters

• Formula: C62 H91 Fe2 K2 N6 O
• Calculated formula: C62 H91 Fe2 K2 N6 O
• SMILES: [Fe]1(N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[N]12=[N]([K]1)([K]2)[Fe]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C.O(CC)CC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 16.0031 ± 0.0014 Å
• b: 18.6541 ± 0.0017 Å
• c: 21.0993 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6298.6 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No