Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347729
Preview
| Coordinates | 4347729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H92 Dy4 N32 O32 S4 Zn4 |
|---|---|
| Calculated formula | C88 H92 Dy4 N32 O32 S4 Zn4 |
| SMILES | C1c2cccc3C=[N]4[N]5=C6c7[n]8[Zn]5(N=C=S)(O)[N]5=C(O[Dy]9%10%11%12%13([n]%14c(C[OH]%11)cccc%14C=[N]9[N]9=C(c%11[n]%14c(ccc%11)C%11=[N]([N]%15=Cc%16[n]%17c(ccc%16)C[OH][Dy]%16%18%19%15%17([n]%15c(C[OH]%18)cccc%15C=[N]%16[N]%15=C(c%16[n]%17c(ccc%16)C%16=[N]([N]%18=Cc%20[n]%21c(ccc%20)C[OH][Dy]%20%22%23%18%21(O%16)([n]%16c(C[OH]%22)cccc%16C=[N]%20[N]%16=C(c%18[n]%20c(ccc%18)C%18=[N]([N]%21=Cc%22[n]%24c(ccc%22)C[OH][Dy]4%21%24([n]23)([OH]1)(O6)(O)O%18)[Zn]%16%20(N=C=S)O)O%23)O)[Zn]%15%17(N=C=S)O)O%19)(O)O%11)[Zn]9%14(N=C=S)O)O%12)([N]5=Cc1[n]%10c(ccc1)C[OH]%13)O)c8ccc7.O.O.O.O.O.O.O.O |
| Title of publication | Metallosupramolecular Coordination Complexes: The Design of Heterometallic 3d-4f Gridlike Structures. |
| Authors of publication | Wu, Jianfeng; Zhao, Lang; Zhang, Li; Li, Xiao-Lei; Guo, Mei; Tang, Jinkui |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 5514 - 5519 |
| a | 24.0282 ± 0.0016 Å |
| b | 24.0282 ± 0.0016 Å |
| c | 34.364 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19840 ± 2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1412 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.2816 |
| Weighted residual factors for all reflections included in the refinement | 0.3122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347729.cif |
| 232471 | 2019-11-23 | cif/ Adding structures of 4347727, 4347728, 4347729 via cif-deposit CGI script. |
4347729.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.