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Information card for entry 2202433
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| Coordinates | 2202433.cif |
|---|---|
| Structure factors | 2202433.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Na1,2-bis[{3-(2-pyridyl)-pyrazol-1-yl}methyl]benzene][ClO~4~] |
|---|---|
| Formula | C24 H20 Cl N6 Na O4 |
| Calculated formula | C24 H20 Cl N6 Na O4 |
| SMILES | [Na]123(OCl(=O)(=O)=O)[n]4c(cccc4)c4[n]1[n](cc4)Cc1ccccc1C[n]1[n]2c(cc1)c1[n]3cccc1 |
| Title of publication | (1,2-Bis{[3-(2-pyridyl)pyrazol-1-yl]methyl}benzene)perchloratosodium |
| Authors of publication | Zoe R. Bell; Michael D. Ward |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 9 |
| Pages of publication | m787 - m789 |
| a | 9.353 ± 0.004 Å |
| b | 10.558 ± 0.003 Å |
| c | 12.794 ± 0.004 Å |
| α | 100.26 ± 0.03° |
| β | 107.64 ± 0.03° |
| γ | 97.33 ± 0.03° |
| Cell volume | 1162.3 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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