Information card for entry 4300513

Structure parameters

• Formula: C98 H86 Fe2 N2 O8
• Calculated formula: C98 H86 Fe2 N2 O8
• SMILES: c1[n]([Fe]23([O]=C(c4c(cccc4c4ccc(cc4)C)c4ccc(cc4)C)O[Fe]4([n]5ccc(cc5)CC)([O]=C(O3)c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)[O]=C(c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)O4)[O]=C(c3c(cccc3c3ccc(cc3)C)c3ccc(cc3)C)O2)ccc(c1)CC
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 10.775 ± 0.003 Å
• b: 24.89 ± 0.008 Å
• c: 15.118 ± 0.005 Å
• α: 90°
• β: 106.178 ± 0.006°
• γ: 90°
• Cell volume: 3894 ± 2 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