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CIF Information Card
Information card for 2013991
2013990 << 2013991 >> 2013992Preview
|
Coordinates |
2013991.cif |
|
Structure factors |
2013991.hkl |
Structure parameters
| Formula | - C15 H12 N3 O P - |
| Calculated formula | - C15 H12 N3 O P - |
| Title of publication | Tris(2-pyridyl)phosphine oxide: how C—H...O and C—H...N interactions can affect crystal packing efficiency |
| Authors of publication | Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o258 - o260 |
| a | 9.0807 ± 0.0009 Å |
| b | 9.155 ± 0.0009 Å |
| c | 16.0629 ± 0.0016 Å |
| α | 90° |
| β | 100.409 ± 0.002° |
| γ | 90° |
| Cell volume | 1313.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |