Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131257
Preview
Coordinates | 4131257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108.9 H90 Cu6 F3.3 O2.71 P6.1 S0.9 |
---|---|
Calculated formula | C108.901 H90 Cu6 F3.297 O2.703 P6.099 S0.901 |
Title of publication | Cationic Copper Hydride Clusters Arising from Oxidation of (Ph<sub>3</sub>P)<sub>6</sub>Cu<sub>6</sub>H<sub>6</sub>. |
Authors of publication | Liu, Shuo; Eberhart, Michael S.; Norton, Jack R.; Yin, Xiaodong; Neary, Michelle C.; Paley, Daniel W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 23 |
Pages of publication | 7685 - 7688 |
a | 15.0213 ± 0.001 Å |
b | 25.1312 ± 0.0012 Å |
c | 28.3846 ± 0.0014 Å |
α | 114.492 ± 0.005° |
β | 98.338 ± 0.005° |
γ | 92.257 ± 0.005° |
Cell volume | 9588.9 ± 1 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2022 |
Residual factor for significantly intense reflections | 0.0983 |
Weighted residual factors for significantly intense reflections | 0.2187 |
Weighted residual factors for all reflections included in the refinement | 0.2908 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation probe | x-ray |
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/4131257.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.