Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059501
Preview
Coordinates | 7059501.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H31 B10 Fe2 S2 |
---|---|
Calculated formula | C30 H32 B10 Fe2 S2 |
Title of publication | Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties |
Authors of publication | Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 18 |
Pages of publication | 7569 - 7576 |
a | 12.2041 ± 0.0004 Å |
b | 7.295 ± 0.0002 Å |
c | 17.0133 ± 0.0006 Å |
α | 90° |
β | 95.532 ± 0.001° |
γ | 90° |
Cell volume | 1507.62 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.0502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7059501.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.