Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247187
Preview
| Coordinates | 7247187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile |
|---|---|
| Formula | C142.2 H117.2 Cd6.8 N19.5 O48 |
| Calculated formula | C142.2 H116.7 Cd6.8 N19.5 O48 |
| Title of publication | Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method |
| Authors of publication | Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 35 |
| Pages of publication | 5001 - 5011 |
| a | 13.6817 ± 0.0002 Å |
| b | 43.2808 ± 0.0004 Å |
| c | 33.7646 ± 0.0004 Å |
| α | 90° |
| β | 95.3182 ± 0.0014° |
| γ | 90° |
| Cell volume | 19907.8 ± 0.4 Å3 |
| Cell temperature | 154 ± 7 K |
| Ambient diffraction temperature | 154 ± 7 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.2108 |
| Weighted residual factors for all reflections included in the refinement | 0.228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286742 (current) | 2023-10-06 | cif/ Updating files of 7247186, 7247187, 7247188, 7247189, 7247190, 7247191, 7247192, 7247193, 7247194, 7247195, 7247196 Original log message: Adding full bibliography for 7247186--7247196.cif. |
7247187.cif |
| 285630 | 2023-08-12 | cif/ Adding structures of 7247186, 7247187, 7247188, 7247189, 7247190, 7247191, 7247192, 7247193, 7247194, 7247195, 7247196 via cif-deposit CGI script. |
7247187.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.