Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107187
Preview
| Coordinates | 8107187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cu N6 O5 |
|---|---|
| Calculated formula | C19 H16 Cu N6 O5 |
| Title of publication | Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2 N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3 O:O′:N)]copper(II) hydrate, C19H16CuN6O5 |
| Authors of publication | Liu, Guang-Zhen; Wang, Xiu-Jin; Wei, Wen-Hui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 681 - 683 |
| a | 9.0143 ± 0.0003 Å |
| b | 9.2122 ± 0.0003 Å |
| c | 11.8205 ± 0.0004 Å |
| α | 82.9 ± 0.003° |
| β | 74.593 ± 0.003° |
| γ | 83.612 ± 0.003° |
| Cell volume | 935.9 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283716 (current) | 2023-05-12 | cif/ Adding structures of 8107187 via cif-deposit CGI script. |
8107187.cif |
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.