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Information card for entry 2200104
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| Coordinates | 2200104.cif |
|---|---|
| Structure factors | 2200104.hkl |
| Original IUCr paper | HTML |
| Formula | C28 H16 Cl12 N6 |
|---|---|
| Calculated formula | C28 H16 Cl12 N6 |
| SMILES | n1c2c(nc3c1cccc3)c1nc3ccccc3nc1c1nc3ccccc3nc21.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | 1,6,7,12,13,18-Hexaazatrinaphthylene tetrachloroform solvate |
| Authors of publication | Alfonso, Montserrat; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | o242 - o244 |
| a | 15.117 ± 0.0013 Å |
| b | 11.6285 ± 0.0006 Å |
| c | 19.9737 ± 0.0016 Å |
| α | 90° |
| β | 101.624 ± 0.01° |
| γ | 90° |
| Cell volume | 3439.1 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1813 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.569 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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