Information card for entry 4300517

Structure parameters

• Formula: C108 H92 Cl2 Fe2 N2 O10 S2
• Calculated formula: C108 H92 Cl2 Fe2 N2 O10 S2
• SMILES: c12cccc[n]1[Fe]13([O]=S2C)([O]=C(c2c(cccc2c2ccc(cc2)C)c2ccc(cc2)C)O[Fe]24([n]5c(cccc5)S(C)=[O]2)([O]=C(O1)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O4)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O3)c1c(c2ccc(cc2)C)cccc1c1ccc(cc1)C.c1(ccccc1)Cl.c1(ccccc1)Cl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 12.3481 ± 0.0013 Å
• b: 13.2842 ± 0.0013 Å
• c: 14.8486 ± 0.0016 Å
• α: 107.009 ± 0.002°
• β: 103.26 ± 0.002°
• γ: 95.274 ± 0.003°
• Cell volume: 2233.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No