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Information card for entry 4000639
Preview
| Coordinates | 4000639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 F12 Mg N2 O4 |
|---|---|
| Calculated formula | C18 H22 F12.003 Mg N2 O4 |
| SMILES | CC[N]([Mg]12([N]3(C)C)([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(CC)CC3 |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2005 |
| a | 10.985 ± 0.002 Å |
| b | 13.6047 ± 0.0018 Å |
| c | 16.897 ± 0.003 Å |
| α | 90° |
| β | 90.479 ± 0.014° |
| γ | 90° |
| Cell volume | 2525.1 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.