Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020547
Preview
| Coordinates | 2020547.cif |
|---|---|
| Structure factors | 2020547.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Cu–Ni–Cu complex |
|---|---|
| Chemical name | Bis(dicyanamido-1κ<i>N</i>^1^)bis(dimethyl sulfoxide)-2κ<i>O</i>,3κ<i>O</i>-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';1:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-dicopper(II)nickel(II) |
| Formula | C42 H44 Cu2 N10 Ni O6 S2 |
| Calculated formula | C42 H44 Cu2 N10 Ni O6 S2 |
| Title of publication | Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties |
| Authors of publication | Hopa, Cigdem; Cokay, Ismail |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| a | 19.196 ± 0.003 Å |
| b | 10.2943 ± 0.0015 Å |
| c | 22.347 ± 0.003 Å |
| α | 90° |
| β | 97.998 ± 0.007° |
| γ | 90° |
| Cell volume | 4373 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020547.cif 2020547.hkl |
| 184241 | 2016-07-06 | cif/ hkl/ Adding structures of 2020547 via cif-deposit CGI script. |
2020547.cif 2020547.hkl |
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.