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Information card for entry 4334512
Preview
| Coordinates | 4334512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H42 Eu2 N18 O15 |
|---|---|
| Calculated formula | C48 H42 Eu2 N18 O15 |
| SMILES | [Eu]1234567([O]8[Eu]9%10%11%12([n]%13c(C8(N[N]2=C(c2[n]1cccc2)c1ncccc1)c1[n]%11cccc1)cccc%13)([O]3C(N[N]5=C(c1[n]4cccc1)c1ncccc1)(c1[n]%12cccc1)c1[n]%10cccc1)(ON(=[O]9)=O)[OH2])(ON(=[O]6)=O)ON(=[O]7)=O.N(=O)(=O)[O-].N#CC.N#CC |
| Title of publication | Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine |
| Authors of publication | Nikolaos C. Anastasiadis; Carlos M. Granadeiro; Nikolaos Klouras; Luís Cunha-Silva; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; Salete S. Balula; Albert Escuer; Spyros P. Perlepes |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 4145 - 4147 |
| a | 12.239 ± 0.0002 Å |
| b | 17.4002 ± 0.0003 Å |
| c | 24.9997 ± 0.0005 Å |
| α | 90° |
| β | 94.405 ± 0.001° |
| γ | 90° |
| Cell volume | 5308.24 ± 0.16 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0914 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4334512.cif |
| 179448 | 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 4/33/45. |
4334512.cif |
| 100340 | 2014-02-04 | cif/ Adding structures of 4334512 via cif-deposit CGI script. |
4334512.cif |
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Users of the data should acknowledge the original authors of the
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