Information card for entry 4300509

Structure parameters

• Formula: C112 H100 Fe2 N2 O9
• Calculated formula: C112 H100 Fe2 N2 O9
• SMILES: [Fe]1234([Fe]([n]5ccc(cc5)Cc5ccccc5)([O]=C(O1)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)([O]=C(O2)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)([O]=C(O3)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[O]=C(O4)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)[n]1ccc(cc1)Cc1ccccc1.O(CC)CC
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 14.516 ± 0.003 Å
• b: 17.236 ± 0.004 Å
• c: 20.031 ± 0.005 Å
• α: 115.14 ± 0.003°
• β: 91.959 ± 0.004°
• γ: 93.572 ± 0.004°
• Cell volume: 4517.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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