Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347904
Preview
| Coordinates | 4347904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Cd N3 O6 |
|---|---|
| Calculated formula | C15 H17 Cd N3 O6 |
| Title of publication | Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates. |
| Authors of publication | Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 15 |
| Pages of publication | 7200 - 7205 |
| a | 12.3156 ± 0.0006 Å |
| b | 15.5113 ± 0.001 Å |
| c | 18.9521 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3620.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.0534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232579 (current) | 2019-11-23 | cif/ Adding structures of 4347899, 4347900, 4347901, 4347902, 4347903, 4347904, 4347905, 4347906, 4347907 via cif-deposit CGI script. |
4347904.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.