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Information card for entry 8101596
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| Coordinates | 8101596.cif |
|---|
| Formula | C56 H40 N4 P2 Se4 |
|---|---|
| Calculated formula | C56 H40 N4 P2 Se4 |
| Title of publication | Crystal structure of bis-tetraphenylphosphonium 1,2,5,6-tetracyano- 3,4-diselena-hexadiene-1,6-diselenolate, [P(C~6~H~5~)~4~]~2~[Se~4~C~4~(CN)~4~] |
| Authors of publication | Czado, Wolfgang; Müller, Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 507 - 508 |
| a | 13.849 ± 0.004 Å |
| b | 9.533 ± 0.003 Å |
| c | 20.026 ± 0.005 Å |
| α | 90° |
| β | 101.56 ± 0.02° |
| γ | 90° |
| Cell volume | 2590.3 ± 1.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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