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Information card for entry 7212506
Preview
| Coordinates | 7212506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pyridazine |
|---|---|
| Chemical name | pyridazine |
| Formula | C4 H4 N2 |
| Calculated formula | C4 H4 N2 |
| SMILES | n1ncccc1 |
| Title of publication | Density, freezing and molecular aggregation in pyridazine, pyridine and benzene |
| Authors of publication | Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 9 |
| Pages of publication | 2561 |
| a | 3.7189 ± 0.0007 Å |
| b | 10.748 ± 0.002 Å |
| c | 9.6823 ± 0.0019 Å |
| α | 90° |
| β | 91.5 ± 0.03° |
| γ | 90° |
| Cell volume | 386.88 ± 0.13 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Ambient diffracton pressure | 610000 kPa |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.2146 |
| Weighted residual factors for all reflections included in the refinement | 0.233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180456 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25. |
7212506.cif |
| 93072 | 2014-01-12 | cif/ Adding structures of 7212505, 7212506, 7212507, 7212508 via cif-deposit CGI script. |
7212506.cif |
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Users of the data should acknowledge the original authors of the
structural data.