Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312508
Preview
| Coordinates | 2312508.cif |
|---|---|
| Structure factors | 2312508.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[decaaquabis(μ~3~-benzene-1,3,5-tricarboxylato)calcium(II)dizinc(II)] dihydrate] |
|---|---|
| Formula | C18 H30 Ca O24 Zn2 |
| Calculated formula | C18 H30 Ca O24 Zn2 |
| Title of publication | Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid. |
| Authors of publication | Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 6.9927 ± 0.0009 Å |
| b | 18.934 ± 0.002 Å |
| c | 20.808 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2755 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291900 (current) | 2024-05-17 | cif/ hkl/ Adding structures of 2312506, 2312507, 2312508 via cif-deposit CGI script. |
2312508.cif 2312508.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.