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Information card for entry 7706185
Preview
| Coordinates | 7706185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H32 Ce N4 O4 |
|---|---|
| Calculated formula | C34 H32 Ce N4 O4 |
| SMILES | [Ce]123456(Oc7c(cccc7)C=[N]3CCC[N]6=Cc3ccccc3O2)Oc2ccccc2C=[N]4CCC[N]5=Cc2c(O1)cccc2 |
| Title of publication | Systematic comparison of the structure of homoleptic tetradentate N<sub>2</sub>O<sub>2</sub>-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution. |
| Authors of publication | Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 48 |
| Pages of publication | 17559 - 17570 |
| a | 14.6108 ± 0.0014 Å |
| b | 13.4604 ± 0.0013 Å |
| c | 14.9187 ± 0.0015 Å |
| α | 90° |
| β | 91.48 ± 0.003° |
| γ | 90° |
| Cell volume | 2933 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706185.cif |
| 260105 | 2020-12-23 | cif/ Adding structures of 7706181, 7706182, 7706183, 7706184, 7706185, 7706186 via cif-deposit CGI script. |
7706185.cif |
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Users of the data should acknowledge the original authors of the
structural data.