Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514710
Preview
Coordinates | 4514710.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H42 B Ni O3 P |
---|---|
Calculated formula | C34 H42 B Ni O3 P |
Title of publication | Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes |
Authors of publication | Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 5 |
Pages of publication | 3849 |
a | 22.1829 ± 0.0013 Å |
b | 9.2102 ± 0.0007 Å |
c | 15.4936 ± 0.001 Å |
α | 90° |
β | 94.271 ± 0.006° |
γ | 90° |
Cell volume | 3156.7 ± 0.4 Å3 |
Cell temperature | 172.99 ± 0.1 K |
Ambient diffraction temperature | 172.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.0907 |
Weighted residual factors for significantly intense reflections | 0.2119 |
Weighted residual factors for all reflections included in the refinement | 0.2211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4514710.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.