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Information card for entry 4002544
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| Coordinates | 4002544.cif |
|---|
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158561 (current) | 2015-09-28 | cif/ Adding structures of 4002544 via cif-deposit CGI script. |
4002544.cif |
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