Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706704
Preview
Coordinates | 7706704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H47 Br3 Cl4 Cu4 N3 P3 |
---|---|
Calculated formula | C52.9999 H46.9996 Br3 Cl3.9999 Cu4 N3 P3 |
Title of publication | Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence. |
Authors of publication | Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 11 |
Pages of publication | 4028 - 4035 |
a | 14.7989 ± 0.0002 Å |
b | 14.7989 ± 0.0002 Å |
c | 22.1361 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4198.47 ± 0.1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0653 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7706704.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.