Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107429
Preview
| Coordinates | 8107429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H29 Cu3 N12 Na O8 S6 |
|---|---|
| Calculated formula | C14 H29 Cu3 N12 Na O8 S6 |
| Title of publication | Crystal structure of sodium catena-poly[bis(thiourea-κ1 S)-tetrakis(μ 2-thiourea-κ2 S,S)tricopper(I)] difumarate, C14H29Cu3N12NaO8S6 |
| Authors of publication | Shin, Jiehye; Do, Junghwan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 323 - 325 |
| a | 15.357 ± 0.002 Å |
| b | 5.441 ± 0.002 Å |
| c | 19.885 ± 0.002 Å |
| α | 90° |
| β | 106.386 ± 0.003° |
| γ | 90° |
| Cell volume | 1594.1 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.63 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284754 (current) | 2023-07-03 | cif/ Adding structures of 8107429 via cif-deposit CGI script. |
8107429.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.