Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4350822
Preview
| Coordinates | 4350822.cif |
|---|---|
| Structure factors | 4350822.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | catena-[(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -diaqua-neodymium(iii) N,N-dimethylformamide solvate] |
|---|---|
| Formula | C6 H4 N7 Nd O5 |
| Calculated formula | C6 H4 N7 Nd O5 |
| Title of publication | Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions |
| Authors of publication | Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2023 |
| Journal volume | 10 |
| Pages of publication | 1037 - 1048 |
| a | 8.6409 ± 0.0002 Å |
| b | 8.6409 ± 0.0002 Å |
| c | 20.1002 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1500.78 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 91 |
| Hermann-Mauguin space group symbol | P 41 2 2 |
| Hall space group symbol | P 4w 2c |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287836 (current) | 2023-11-28 | cif/ hkl/ Adding structures of 4350822 via cif-deposit CGI script. |
4350822.cif 4350822.hkl |
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.