Information card for entry 4061761

Structure parameters

• Formula: C60 H90 Fe N4 O
• Calculated formula: C60 H90 Fe N4 O
• SMILES: [Fe]12([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(C)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 13.241 ± 0.003 Å
• b: 12.013 ± 0.003 Å
• c: 17.175 ± 0.004 Å
• α: 90°
• β: 94.036 ± 0.006°
• γ: 90°
• Cell volume: 2725.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No