Information card for entry 4300518

Structure parameters

• Formula: C52 H44 Fe N2 O4 S2
• Calculated formula: C52 H44 Fe N2 O4 S2
• SMILES: [Fe](OC(=O)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)(OC(=O)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)([S]=C1NC=CC=C1)[S]=C1NC=CC=C1
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 18.821 ± 0.019 Å
• b: 12.262 ± 0.012 Å
• c: 21.18 ± 0.02 Å
• α: 90°
• β: 115.123 ± 0.016°
• γ: 90°
• Cell volume: 4425 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No