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Information card for entry 4342211
Preview
| Coordinates | 4342211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | H(DECO), diethylamide-cyanoxime |
|---|---|
| Chemical name | N,N'-diethylamono-2-oximino-cyanacetamide |
| Formula | C7 H11 N3 O2 |
| Calculated formula | C7 H11 N3 O2 |
| SMILES | C(=N\O)(C(=O)N(CC)CC)\C#N |
| Title of publication | 1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm. |
| Authors of publication | Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1890 - 1900 |
| a | 8.6971 ± 0.0017 Å |
| b | 8.1819 ± 0.0016 Å |
| c | 13.203 ± 0.003 Å |
| α | 90° |
| β | 98.548 ± 0.002° |
| γ | 90° |
| Cell volume | 929.1 ± 0.3 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342211.cif |
| 179525 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342211.cif |
| 132798 | 2015-03-04 | cif/ Updating files of 4342210, 4342211, 4342212, 4342213, 4342214 Original log message: Adding full bibliography for 4342210--4342214.cif. |
4342211.cif |
| 130415 | 2015-02-04 | cif/ Adding structures of 4342210, 4342211, 4342212, 4342213, 4342214 via cif-deposit CGI script. |
4342211.cif |
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Users of the data should acknowledge the original authors of the
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