Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022871
Preview
| Coordinates | 2022871.cif |
|---|---|
| Structure factors | 2022871.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)carbamato-κ<i>O</i>]copper(II) tetrahydrate |
|---|---|
| Formula | C10 H20 Cu N6 O8 |
| Calculated formula | C10 H20 Cu N6 O8 |
| Title of publication | Carbon dioxide capture from air leading to bis-[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i><sup>2</sup>)carbamato-κ<i>O</i>]copper(II) tetra-hydrate. |
| Authors of publication | Sirenko, Valerii Y.; Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Naumova, Dina D.; Shova, Sergiu |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 988 - 992 |
| a | 8.4623 ± 0.0002 Å |
| b | 5.6487 ± 0.00016 Å |
| c | 17.4536 ± 0.0004 Å |
| α | 90° |
| β | 98.786 ± 0.002° |
| γ | 90° |
| Cell volume | 824.51 ± 0.04 Å3 |
| Cell temperature | 199.99 ± 0.11 K |
| Ambient diffraction temperature | 199.99 ± 0.11 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288141 (current) | 2023-12-07 | cif/ Updating files of 2022871 Original log message: Adding full bibliography for 2022871.cif. |
2022871.cif 2022871.hkl |
| 286819 | 2023-10-06 | cif/ hkl/ Adding structures of 2022871 via cif-deposit CGI script. |
2022871.cif 2022871.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.