Information card for entry 4061853

Structure parameters

• Formula: C60 H62 Fe4 N11 P3
• Calculated formula: C60 H62 Fe4 N11 P3
• SMILES: [cH]12[cH]3[Fe]4567892([cH]2[cH]5[c]9([cH]8[cH]42)/C=N/N(C)P2(=NP(N(C)\N=C\[c]45[cH]8[Fe]9%10%11%12%13%144([cH]4[cH]9[cH]%11[cH]%12[cH]%104)[cH]8[cH]%13[cH]5%14)(=NP(c4ccccc4)(=N2)c2ccccc2)N(/N=C/[c]24[cH]5[cH]8[cH]9[Fe]%10%11%12%13258([cH]2[cH]%10[cH]%12[cH]%13[cH]%112)[cH]49)C)N(\N=C\[c]24[cH]5[cH]8[cH]9[cH]2[Fe]2%10%11%124589[cH]4[cH]2[cH]%11[cH]%12[cH]%104)C)[cH]1[cH]7[cH]36
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 13.006 ± 0.005 Å
• b: 13.888 ± 0.005 Å
• c: 17.159 ± 0.005 Å
• α: 112.821 ± 0.005°
• β: 95.174 ± 0.005°
• γ: 92.084 ± 0.005°
• Cell volume: 2836.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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