Information card for entry 4062040

Structure parameters

• Formula: C64 H80 Co2 Fe2 N8 O2
• Calculated formula: C64 H80 Co2 Fe2 N8 O2
• SMILES: [cH]12[cH]3[cH]4[c]56C7(c8cccn8[Co]89[n]26[Fe]26%10%111345[n]13[Co]4([n]5%12[cH]%13[cH]%14[cH]%15[c]5(C5(c%16cccn4%16)CCCCC5)[Fe]45%16%17%12%13%14%15[n]%128[cH]4[cH]5[cH]%16[c]%17%12C4(c5n9ccc5)CCCCC4)n4cccc4C4([c]%113[cH]%10[cH]6[cH]21)CCCCC4)CCCCC7.O1CCCC1.O1CCCC1
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 20.78 ± 0.0014 Å
• b: 19.5453 ± 0.0013 Å
• c: 14.2942 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5805.6 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No