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CIF Information Card
Information card for 2012584
2012583 << 2012584 >> 2012585Preview
|
Coordinates |
2012584.cif |
|
Structure factors |
2012584.hkl |
Structure parameters
| Formula | - C16 H22 N6 O12 - |
| Calculated formula | - C16 H22 N6 O12 - |
| Title of publication | Piperazine-1,4-diium‒2,4-dinitrophenolate‒water (1/2/2) |
| Authors of publication | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o136 - o138 |
| a | 12.114 ± 0.0006 Å |
| b | 12.9702 ± 0.0006 Å |
| c | 6.5813 ± 0.0003 Å |
| α | 90° |
| β | 99.646 ± 0.001° |
| γ | 90° |
| Cell volume | 1019.44 ± 0.08 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| 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 |