Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4127517
Preview
Coordinates | 4127517.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H46 B2 Co4 F8 N8 O14 |
---|---|
Calculated formula | C48 H46 B2 Co4 F8 N8 O14 |
Title of publication | Mechanistically Driven Control over Cubane Oxo Cluster Catalysts. |
Authors of publication | Song, Fangyuan; Al-Ameed, Karrar; Schilling, Mauro; Fox, Thomas; Luber, Sandra; Patzke, Greta R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 22 |
Pages of publication | 8846 - 8857 |
a | 22.6584 ± 0.0005 Å |
b | 12.1359 ± 0.0003 Å |
c | 21.1615 ± 0.0005 Å |
α | 90° |
β | 115.784 ± 0.003° |
γ | 90° |
Cell volume | 5239.7 ± 0.3 Å3 |
Cell temperature | 159.99 ± 0.1 K |
Ambient diffraction temperature | 159.99 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1375 |
Weighted residual factors for all reflections included in the refinement | 0.1422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4127517.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.