Information card for entry 4002544

Structure parameters

• Chemical name: (N H3)5.72 Na2 C60
• Formula: C60 H17.16 N5.72 Na2
• Calculated formula: C60 N5.718 Na2
• SMILES: c12c3c4c5c6c3c3c7c1c1c8c2c2c4c4c9c%10c%11c%12c%13c%10c%10c4c5c4c5c6c6c%14c5c5c%15c(c%16c%17c%18c(c%19c(c%20c1c1c(c%18%20)c%18c%17c%15c%14c%18c(c36)c71)c8c(c29)c%11%19)c%12%16)c%13c5c%104.N.N.[Na+].N.N.[Na+].N.N
• Title of publication: Cation-site and anion charge ordering in body-centered cubic-packedfullerides with complex counterions
• Authors of publication: Claridge, J.B.; Fowkes, A.J.; Rosseinsky, M.J.; Watts, I.D.
• Journal of publication: Chemistry of Materials (1,1989-)
• Year of publication: 2003
• Journal volume: 15
• Pages of publication: 1497 - 1504
• a: 17.227 Å
• b: 17.227 Å
• c: 10.5 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2698.6 ų
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No