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Information card for entry 4332883
Preview
| Coordinates | 4332883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 N5 Nd O14 Zn |
|---|---|
| Calculated formula | C24 H24 N5 Nd O14 Zn |
| SMILES | [Nd]123456([O](C)c7cccc8c7[O]1[Zn]17([O]3c3c(C=[N]7c7c([N]1=C8)cccc7)cccc3[O]2C)ON(=O)=[O]4)([O]=N(=O)O5)([O]=N(=O)O6)[OH]CC |
| Title of publication | Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence |
| Authors of publication | Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 23 |
| Pages of publication | 9315 - 9325 |
| a | 9.5729 ± 0.0011 Å |
| b | 12.5568 ± 0.0015 Å |
| c | 13.7143 ± 0.0016 Å |
| α | 86.346 ± 0.002° |
| β | 73.593 ± 0.002° |
| γ | 67.874 ± 0.002° |
| Cell volume | 1463.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| 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. |
4332883.cif |
| 179431 | 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 4/33/28. |
4332883.cif |
| 98619 | 2014-01-30 | cif/ Adding structures of 4332883 via cif-deposit CGI script. |
4332883.cif |
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Users of the data should acknowledge the original authors of the
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