Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714230
Preview
| Coordinates | 7714230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 N2 O3 |
|---|---|
| Calculated formula | C21 H16 N2 O3 |
| SMILES | O=C1C=Cc2cccc3c2c1c(N/N=C/c1c(O)c(OC)ccc1)cc3 |
| Title of publication | Closed-shell Phenalenyl-based Dinuclear Iron(III) Complex as a Robust Cathode for One-Compartment H2O2 Fuel Cell |
| Authors of publication | Kamboj, Nisha; Dey, Ayan; Lama, Prem; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 16.38 ± 0.02 Å |
| b | 29.87 ± 0.04 Å |
| c | 6.843 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3348 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.1336 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286967 (current) | 2023-10-14 | cif/ Adding structures of 7714229, 7714230 via cif-deposit CGI script. |
7714230.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.