Information card for entry 4101097

Structure parameters

• Formula: C27 H27 Fe N4 O12
• Calculated formula: C27 H27 Fe N4 O12
• SMILES: C1CNC(=O)C2OC(=CC3C=2O[Fe]245([O]=3)OC3=C(C(=O)NCCN1CCNC(=O)C1OC(=CC(C=1O4)=[O]5)C)OC(C)=CC3=[O]2)C
• Authors of publication: Puerta, David T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 17.6481 ± 0.0005 Å
• b: 17.6481 ± 0.0005 Å
• c: 17.6481 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5496.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No