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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228800 (current) | 2019-11-17 | cif/ Updating files of 1548883, 1548884, 1548885, 1548886, 1548887 Original log message: Adding full bibliography for 1548883--1548887.cif. |
1548883.cif |
| 206283 | 2018-02-08 | cif/ Adding structures of 1548883, 1548884, 1548885, 1548886, 1548887 via cif-deposit CGI script. |
1548883.cif |
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.