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Information card for entry 4000726
Preview
| Coordinates | 4000726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H40 N6 S4 Zn |
|---|---|
| Calculated formula | C20 H40 N6 S4 Zn |
| SMILES | CCN(C1=[N]C(N(CC)CC)=[S][Zn]2(S1)[S]=C(N(CC)CC)N=C(N(CC)CC)S2)CC |
| Title of publication | Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films |
| Authors of publication | Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 6 |
| Pages of publication | 1471 |
| a | 9.092 ± 0.0008 Å |
| b | 11.5052 ± 0.001 Å |
| c | 26.955 ± 0.002 Å |
| α | 90° |
| β | 98.799 ± 0.002° |
| γ | 90° |
| Cell volume | 2786.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.743 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000726.cif |
| 114053 | 2014-05-21 | cif/ Updating files of 4000725, 4000726, 4000727 Original log message: Adding full bibliography for 4000725--4000727.cif. |
4000726.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000726.cif |
| 34918 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000726 via cif-deposit CGI script. |
4000726.cif |
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Users of the data should acknowledge the original authors of the
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