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Information card for entry 2022339
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| Coordinates | 2022339.cif |
|---|---|
| Structure factors | 2022339.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[tetra-μ~3~-chlorido-deca-μ~2~-chlorido-dichloridohexakis(μ~4~-<i>L</i>-cysteinato)hexadecacopper] polyhydrate] |
|---|---|
| Formula | C36 H74.68 Cl32 Cu32 N12 O25.97 S12 |
| Calculated formula | C36 H74.68 Cl32 Cu32 N12 O25.97 S12 |
| Title of publication | Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters |
| Authors of publication | Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 4 |
| Pages of publication | 324 - 330 |
| a | 29.4665 ± 0.0014 Å |
| b | 22.1299 ± 0.0011 Å |
| c | 28.9371 ± 0.0014 Å |
| α | 90° |
| β | 97.3964 ± 0.0014° |
| γ | 90° |
| Cell volume | 18712.6 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262380 (current) | 2021-03-03 | cif/ hkl/ Adding structures of 2022339 via cif-deposit CGI script. |
2022339.cif 2022339.hkl |
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Users of the data should acknowledge the original authors of the
structural data.