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Information card for entry 4129038
Preview
| Coordinates | 4129038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CuNipdt2_C2H4 |
|---|---|
| Formula | C2.4 H1.81 Cu0.25 N Ni0.25 S |
| Calculated formula | C2.403 H1.8062 Cu0.25 N Ni0.25 S |
| Title of publication | Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)<sub>2</sub>] by Gas Adsorption. |
| Authors of publication | Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 12 |
| Pages of publication | 5005 - 5013 |
| a | 6.8342 ± 0.0009 Å |
| b | 6.8342 ± 0.0009 Å |
| c | 16.0964 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 751.8 ± 0.16 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 131 |
| Hermann-Mauguin space group symbol | P 42/m m c |
| Hall space group symbol | -P 4c 2 |
| Residual factor R(I) for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for all reflections | 3.57 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.45212 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222045 (current) | 2019-11-03 | cif/ Adding structures of 4129038 via cif-deposit CGI script. |
4129038.cif |
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