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Information card for entry 1558172
Preview
| Coordinates | 1558172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate |
|---|---|
| Formula | C16 H36 N6 S2 Zn |
| Calculated formula | C16 N6 S2 Zn |
| SMILES | [Zn]12(N=C=S)([NH2]C(C[NH]1C(C)C)(C)C)[NH2]C(C[NH]2C(C)C)(C)C.[S-]C#N |
| Title of publication | Crystal Structure of Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate |
| Authors of publication | Pariya, Chandi; Chaudhuri, Nirmalendu Ray; Das, Asish; Seth, Shyamal Kumar |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 859 - 864 |
| a | 13.339 ± 0.002 Å |
| b | 12.066 ± 0.001 Å |
| c | 14.572 ± 0.003 Å |
| α | 90° |
| β | 96.52 ± 0.01° |
| γ | 90° |
| Cell volume | 2330.2 ± 0.6 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252643 (current) | 2020-06-04 | cif/ Adding structures of 1558172 via cif-deposit CGI script. |
1558172.cif |
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