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Information card for entry 4325505
Preview
| Coordinates | 4325505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H26 N5 O16 Tm Zn |
|---|---|
| Calculated formula | C19 H26 N5 O16 Tm Zn |
| SMILES | [N]12=Cc3cccc4[O](C)[Tm]5678([O](c34)[Zn]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)ON(=O)=O)(ON(=[O]7)=O)(ON(=[O]8)=O)[OH2].O.O |
| Title of publication | Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes |
| Authors of publication | Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 5879 - 5889 |
| a | 9.3366 ± 0.0002 Å |
| b | 9.4071 ± 0.0002 Å |
| c | 15.8396 ± 0.0004 Å |
| α | 103.613 ± 0.002° |
| β | 100.471 ± 0.002° |
| γ | 97.201 ± 0.002° |
| Cell volume | 1308.86 ± 0.05 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.0271 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0282 |
| Weighted residual factors for all reflections included in the refinement | 0.0281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325505.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4325505.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325505.cif |
| 44575 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325505 via cif-deposit CGI script. |
4325505.cif |
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