Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7713380
Preview
| Coordinates | 7713380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Cu(chxn)2I]I |
|---|---|
| Formula | C12 H28 Cu I2 N4 |
| Calculated formula | C12 H28 Cu I2 N4 |
| Title of publication | Spin dynamics in a Heisenberg weak antiferromagnetic chain of an iodide-bridged Cu(II) complex |
| Authors of publication | Wakizaka, Masanori; Arczyński, Mirosław; Gupta, Shraddha; Takaishi, Shinya; Yamashita, Masahiro |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 9.3636 ± 0.0002 Å |
| b | 9.3636 ± 0.0002 Å |
| c | 18.1008 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1374.4 ± 0.05 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0136 |
| Residual factor for significantly intense reflections | 0.0132 |
| Weighted residual factors for significantly intense reflections | 0.0318 |
| Weighted residual factors for all reflections included in the refinement | 0.032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 284792 (current) | 2023-07-05 | cif/ Adding structures of 7713380 via cif-deposit CGI script. |
7713380.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.