Information card for entry 4062741

Structure parameters

• Formula: C60 H44 B F24 Fe4
• Calculated formula: C60 H44 B F24 Fe4
• SMILES: [Fe]12345678([cH]9[cH]5[cH]6[cH]7[c]89C)[CH]56[CH]17[Fe]5189%10%11%12([cH]%13[cH]9[cH]%10[cH]%11[c]%12%13C)[Fe]2659%10%11%12([cH]%13[cH]9[cH]%10[cH]%11[c]%12%13C)[CH]32[CH]15[Fe]24781356([cH]2[cH]1[cH]3[cH]5[c]26C).FC(F)(F)c1cc(cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Authors of publication: Masaaki Okazaki
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 19.4022 ± 0.0007 Å
• b: 19.4494 ± 0.0009 Å
• c: 15.0123 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5665 ± 0.4 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No