Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7131696
Preview
Coordinates | 7131696.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | S-MP-ZnCl |
---|---|
Formula | C20 H56 Cl16 N8 Zn4 |
Calculated formula | C20 H56 Cl16 N8 Zn4 |
Title of publication | Circularly polarized luminescence and nonlinear optical harmonic generation based on chiral zinc halides. |
Authors of publication | Han, Xiao; Cheng, Puxin; Han, Wenqing; Shi, Rongchao; Guan, Junjie; Li, Geng; Xu, Jialiang |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 48 |
Pages of publication | 7447 - 7450 |
a | 11.6567 ± 0.0004 Å |
b | 12.1248 ± 0.0004 Å |
c | 16.4859 ± 0.0005 Å |
α | 90° |
β | 90.02 ± 0.03° |
γ | 90° |
Cell volume | 2330.04 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0286 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0239 |
Diffraction radiation probe | x-ray |
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/7131696.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.