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Information card for entry 8101108
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| Coordinates | 8101108.cif |
|---|
| Formula | C26 H20 Cr N6 O12.5 |
|---|---|
| Calculated formula | C26 H20 Cr N6 O12.5 |
| SMILES | [Cr]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O=C(O)c1nc(ccc1)C(=O)O.O.[nH+]1c(N)cccc1N |
| Title of publication | Crystal structure of 2,6-diaminopyridinum bis(2,6-pyridinedicarboxylato) chromium(III) 2,6-pyridinedicarboxylic acid hemihydrate, C~26~H~18~CrN~6~O~12~ · 0.5H~2~O |
| Authors of publication | Ranjbar, M.; Aghabozorg, Hossein; Moghimill, A.; Yanovsky, A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 4 |
| Pages of publication | 626 - 628 |
| a | 15.233 ± 0.004 Å |
| b | 25.208 ± 0.006 Å |
| c | 14.685 ± 0.003 Å |
| α | 90° |
| β | 103.893 ± 0.005° |
| γ | 90° |
| Cell volume | 5474 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| 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 | No |
| Has Fobs | No |
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