Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548883
Preview
Coordinates | 1548883.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H54 Ba2 F12 Fe2 N6 O24 S4 |
---|---|
Calculated formula | C52 H54 Ba2 F12 Fe2 N6 O24 S4 |
Title of publication | Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. |
Authors of publication | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 2567 - 2574 |
a | 10.8491 ± 0.0007 Å |
b | 11.7518 ± 0.0008 Å |
c | 14.5176 ± 0.001 Å |
α | 75.9118 ± 0.0008° |
β | 86.5298 ± 0.0008° |
γ | 71.8096 ± 0.0008° |
Cell volume | 1705.3 ± 0.2 Å3 |
Cell temperature | 88 ± 2 K |
Ambient diffraction temperature | 88 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0243 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1548883.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.