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Information card for entry 2241741
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| Coordinates | 2241741.cif |
|---|---|
| Structure factors | 2241741.hkl |
| Original IUCr paper | HTML |
| Common name | C6H8N2ZnCl2 |
|---|---|
| Chemical name | (Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc |
| Formula | C6 H8 Cl2 N2 Zn |
| Calculated formula | C6 H8 Cl2 N2 Zn |
| SMILES | c12c(cccc1)[NH2][Zn]([NH2]2)(Cl)Cl |
| Title of publication | Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt |
| Authors of publication | Zick, Patricia L.; Geiger, David K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 1037 - 1042 |
| a | 8.4039 ± 0.0009 Å |
| b | 7.5206 ± 0.0007 Å |
| c | 14.1667 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 895.37 ± 0.16 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183940 (current) | 2016-06-26 | cif/ hkl/ Adding structures of 2241741, 2241742, 2241743 via cif-deposit CGI script. |
2241741.cif 2241741.hkl |
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Users of the data should acknowledge the original authors of the
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