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Information card for entry 4116176
Preview
| Coordinates | 4116176.cif |
|---|---|
| External links | PubChem |
| Formula | C18 H32 N11 O11 Pr |
|---|---|
| Calculated formula | C18 H32 N11 O11 Pr |
| SMILES | [Pr]12345([O]=N(=Cc6n(c(n[n]46)C)C)C(C)(C)C)(ON(=O)=[O]3)([O]=N(=O)O1)(ON(=[O]2)=O)[O]=N(C(C)(C)C)=Cc1n(c(n[n]51)C)C |
| Title of publication | Systematic Investigations of the Nature of the Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives [J. Am. Chem. Soc.2000,122, 3413-3421]. |
| Authors of publication | Myrtil L. Kahn; Jean-Pascal Sutter; Stephane Golhen; Philippe Guionneau; Lahcene Ouahab; Olivier Kahn; Daniel Chasseau |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 9566 - 9566 |
| a | 10.199 ± 0.002 Å |
| b | 10.631 ± 0.002 Å |
| c | 14.062 ± 0.002 Å |
| α | 82.49 ± 0.01° |
| β | 69.358 ± 0.01° |
| γ | 83.35 ± 0.01° |
| Cell volume | 1410.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4116176.cif |
| 178932 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61. |
4116176.cif |
| 70755 | 2013-01-04 | cif/ Adding structures of 4116176 via cif-deposit CGI script. |
4116176.cif |
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Users of the data should acknowledge the original authors of the
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