Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520125
Preview
| Coordinates | 1520125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H76 Dy2 N4 Ni2 O25 |
|---|---|
| Calculated formula | C78 H74 Dy2 N4 Ni2 O25 |
| SMILES | [Dy]123456([O](c7cccc8C=[N]9[Ni]%10([O]1c78)([O]2c1c([O]3C)cccc1C=[N]%10[N]1[Ni]237([O]8[Dy]%10%11%12([O](c%14cccc(C=[N]97)c8%14)C)([O]2c2c([O]%11C)cccc2C=1)([O]=C(O%12)c1ccccc1)([O]=C(O%10)c1ccccc1)[O]=C(O3)c1ccccc1)[OH]C)([O]=C(O6)c1ccccc1)[OH]C)C)([O]=C(O4)c1ccccc1)[O]=C(O5)c1ccccc1.OC.O.OC |
| Title of publication | Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction. |
| Authors of publication | Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 26 |
| Pages of publication | 11935 - 11942 |
| a | 24.03 ± 0.005 Å |
| b | 16.831 ± 0.003 Å |
| c | 22.733 ± 0.005 Å |
| α | 90° |
| β | 121.087 ± 0.003° |
| γ | 90° |
| Cell volume | 7874 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143468 (current) | 2015-07-11 | cif/ Updating files of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 Original log message: Adding full bibliography for 1520123--1520137.cif. |
1520125.cif |
| 137565 | 2015-05-30 | cif/ Adding structures of 1520123, 1520124, 1520125, 1520126, 1520127, 1520128, 1520129, 1520130, 1520131, 1520132, 1520133, 1520134, 1520135, 1520136, 1520137 via cif-deposit CGI script. |
1520125.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.