Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224573
Preview
| Coordinates | 7224573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H34 Cu N4 O20 S4 |
|---|---|
| Calculated formula | C6 H34 Cu N4 O20 S4 |
| Title of publication | Synthesis, crystal structure and disorder–order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2 |
| Authors of publication | Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 15 |
| Pages of publication | 2719 |
| a | 8.044 ± 0.002 Å |
| b | 9.357 ± 0.002 Å |
| c | 9.822 ± 0.002 Å |
| α | 111.23 ± 0.002° |
| β | 107.301 ± 0.002° |
| γ | 104.268 ± 0.002° |
| Cell volume | 603.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224573.cif |
| 182640 | 2016-05-06 | cif/ Updating files of 7224573, 7224574 Original log message: Adding full bibliography for 7224573--7224574.cif. |
7224573.cif |
| 178133 | 2016-03-11 | cif/ Adding structures of 7224573, 7224574 via cif-deposit CGI script. |
7224573.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.