Information card for entry 4101003

Structure parameters

• Formula: C32 H41 Fe N2 O3
• Calculated formula: C32 H41 Fe N2 O3
• SMILES: C1(=CC(C)=[N]([Fe](C#[O])(C#[O])(N1c1c(cccc1C(C)C)C(C)C)C#[O])c1c(cccc1C(C)C)C(C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.0433 ± 0.0009 Å
• b: 21.5586 ± 0.0013 Å
• c: 10.1035 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3058.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No