Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4331918
Preview
| Coordinates | 4331918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 N7 Nd O13 Zn |
|---|---|
| Calculated formula | C26 H24 N7 Nd O13 Zn |
| SMILES | [Nd]123456([O](C)c7cccc8c7[O]1[Zn]17([N](=C8)c8ccccc8[N]1=Cc1cccc([O]3C)c1[O]27)[N]#CC)(ON(=[O]4)=O)(ON(=[O]6)=O)[O]=N(=O)O5.C(#N)C |
| Title of publication | Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes |
| Authors of publication | Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 11 |
| Pages of publication | 4340 - 4345 |
| a | 9.5124 ± 0.0019 Å |
| b | 16.439 ± 0.003 Å |
| c | 19.317 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3020.7 ± 1 Å3 |
| Cell temperature | 153 ± 1 K |
| Ambient diffraction temperature | 153 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331918.cif |
| 179422 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19. |
4331918.cif |
| 97975 | 2014-01-29 | cif/ Adding structures of 4331918 via cif-deposit CGI script. |
4331918.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.