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Information card for entry 8107007
Preview
| Coordinates | 8107007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H3 Cu N4 S |
|---|---|
| Calculated formula | C2 H3 Cu N4 S |
| Title of publication | Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3 S:S:N:N′)copper(I)], C2H3CuN4S |
| Authors of publication | Liu, Gang; Zhang, Shuang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 791 - 792 |
| a | 8.6567 ± 0.0009 Å |
| b | 4.9722 ± 0.0005 Å |
| c | 12.0437 ± 0.0011 Å |
| α | 90° |
| β | 112.676 ± 0.006° |
| γ | 90° |
| Cell volume | 478.32 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282238 (current) | 2023-04-04 | cif/ Adding structures of 8107007 via cif-deposit CGI script. |
8107007.cif |
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Users of the data should acknowledge the original authors of the
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