Information card for entry 4300510

Structure parameters

• Formula: C110 H94 Fe2 N2 O8
• Calculated formula: C110 H94 Fe2 N2 O8
• SMILES: c1(c(cccc1)Cc1ccccc1)[NH2][Fe]12([O]=C(O[Fe]3([NH2]c4c(cccc4)Cc4ccccc4)([O]=C(O1)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O3)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O2)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 13.774 ± 0.003 Å
• b: 23.088 ± 0.005 Å
• c: 14.488 ± 0.003 Å
• α: 90°
• β: 107.498 ± 0.004°
• γ: 90°
• Cell volume: 4394.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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