Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105497
Preview
Coordinates | 4105497.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H66 Cd3 Cl4 N4 O8 S8 |
---|---|
Calculated formula | C76 H66 Cd3 Cl4 N4 O8 S8 |
SMILES | [N]12=Cc3cc(c4ccc(c5cccs5)s4)ccc3[O]3[Cd]452[N](CC(C1)(C)C)=Cc1cc(ccc1[O]4[Cd]123([O]3c4c(cc(c6ccc(c7cccs7)s6)cc4)C=[N]4CC(C)(C)C[N]6=Cc7cc(ccc7[O]1[Cd]346[O]=C(O2)C)c1sc(cc1)c1sccc1)[O]=C(O5)C)c1sc(cc1)c1sccc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Seeded Growth of CdS Nanoparticles within a Conducting Metallopolymer Matrix |
Authors of publication | Michelle L. Mejía; Kyriacos Agapiou; Xiaoping Yang; Bradley J. Holliday |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 18196 - 18197 |
a | 9.4519 ± 0.0019 Å |
b | 14.714 ± 0.003 Å |
c | 15.772 ± 0.003 Å |
α | 62.46 ± 0.03° |
β | 78.78 ± 0.02° |
γ | 82.1 ± 0.03° |
Cell volume | 1904.9 ± 0.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0649 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4105497.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.