Information card for entry 4100566

Structure parameters

• Common name: [Fe(OEP)(2-MeIm)]K(222)
• Formula: C58 H85 Fe K N8 O6
• Calculated formula: C58 H85 Fe K N8 O6
• SMILES: [Fe]123([N]4=C5C=C6N3C(=CC3=[N]2C(C(=C3CC)CC)=CC2N1C(=C(C=2CC)CC)C=C4C(=C5CC)CC)C(=C6CC)CC)n1c(ncc1)C.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC8)CC[O]6CC[O]7CC9
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.9232 ± 0.0001 Å
• b: 19.6316 ± 0.0002 Å
• c: 22.5922 ± 0.0003 Å
• α: 90°
• β: 94.371 ± 0.001°
• γ: 90°
• Cell volume: 5715.04 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No