Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7218334
Preview
Coordinates | 7218334.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H54 Cl0 Dy4 F48 N12 Ni2 O29 |
---|---|
Calculated formula | C82 H54 Dy4 F48 N12 Ni2 O29 |
SMILES | [Dy]12345678[O]9[Dy]%10%11%12%13([O]1[N]1[Ni]%14%15([n]%16ccccc%16C=[N]%14[O]2[Dy]2%14%16%17([O]3[N]3[Ni]%18%19([n]%20ccccc%20C=3)([n]3ccccc3C=[N]%189)[n]3ccccc3C=[N]%19[O]4[Dy]34(OC(C(F)(F)F)=CC(=[O]3)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O4)([O]6C(=[O]7%10)C)([O]=C(C)[O]8%16)[OH]C)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O%14)OC(C(F)(F)F)=CC(=[O]%17)C(F)(F)F)([n]2ccccc2C=1)[n]1ccccc1C=[N]%15O5)(OC(=CC(=[O]%13)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]%12)C(F)(F)F)OC(=CC(=[O]%11)C(F)(F)F)C(F)(F)F.CO.O |
Title of publication | Hexanuclear [Ni2Ln4] clusters exhibiting enhanced magnetocaloric effect and slow magnetic relaxation |
Authors of publication | Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 16.217 ± 0.003 Å |
b | 25.446 ± 0.005 Å |
c | 28.525 ± 0.006 Å |
α | 90° |
β | 104.02 ± 0.03° |
γ | 90° |
Cell volume | 11420 ± 4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0821 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1432 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7218334.html
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.