Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7021484
Preview
Coordinates | 7021484.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H44 B Cl2 Cu I Mo N7 O S2 |
---|---|
Calculated formula | C24 H44 B Cl2 Cu I Mo N7 O S2 |
SMILES | [Mo]1234(S[Cu]2(S1)I)(=O)[n]1n([BH](n2[n]3c(cc2C)C)n2[n]4c(cc2C)C)c(cc1C)C.[N+](CC)(CC)(CC)CC.C(Cl)Cl |
Title of publication | Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties. |
Authors of publication | Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 26 |
Pages of publication | 9495 - 9504 |
a | 18.811 ± 0.004 Å |
b | 17.312 ± 0.004 Å |
c | 10.749 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3500.5 ± 1.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 10 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/7021484.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.