Information card for entry 4062039

Structure parameters

• Formula: C64 H80 Fe4 N8 O2
• Calculated formula: C64 H80 Fe4 N8 O2
• SMILES: [cH]12[cH]3[cH]4[c]56C7(c8cccn8[Fe]89[n]15[Fe]15%10%112346[n]23[cH]1[cH]5[cH]%10[c]%112C1(c2n(ccc2)[Fe]23[n]34[cH]5[cH]6[cH]%10[c]3(C3(c%11cccn2%11)CCCCC3)[Fe]23%11%12456%10[n]48[cH]2[cH]3[cH]%11[c]%124C2(c3n9ccc3)CCCCC2)CCCCC1)CCCCC7.O1CCCC1.O1CCCC1
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 20.552 ± 0.003 Å
• b: 19.537 ± 0.002 Å
• c: 14.2842 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5735.4 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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