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Information card for entry 2008880
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium |
|---|---|
| Formula | C10 H14 N6 O6 |
| Calculated formula | C10 H14 N6 O6 |
| SMILES | Oc1n[nH]c(=O)c2cc(c(cc12)C(=O)[O-])C(=O)[O-].N[NH3+].N[NH3+] |
| Title of publication | Bis(hydrazinium) 4-hydroxy-1-oxo-2<i>H</i>-phthalazine-6,7-dicarboxylate |
| Authors of publication | Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1535 - 1536 |
| a | 25.3 ± 0.005 Å |
| b | 7.366 ± 0.002 Å |
| c | 14.609 ± 0.003 Å |
| α | 90° |
| β | 113.62 ± 0.03° |
| γ | 90° |
| Cell volume | 2494.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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