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Information card for entry 4348195
Preview
| Coordinates | 4348195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H19 F18 Gd N O8 |
|---|---|
| Calculated formula | C25 H19 F18 Gd N O8 |
| SMILES | [Gd]123(ON(c4ccccc4)C(C)(C)C)([OH2])(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F |
| Title of publication | Strongest Ferromagnetic Coupling in Designed Gadolinium(III)-Nitroxide Coordination Compounds. |
| Authors of publication | Kanetomo, Takuya; Yoshitake, Toru; Ishida, Takayuki |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 16 |
| Pages of publication | 8140 - 8146 |
| a | 12.6 ± 0.004 Å |
| b | 16.415 ± 0.005 Å |
| c | 17.768 ± 0.005 Å |
| α | 67.165 ± 0.01° |
| β | 78.935 ± 0.011° |
| γ | 80.124 ± 0.011° |
| Cell volume | 3304.8 ± 1.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232815 (current) | 2019-11-23 | cif/ Adding structures of 4348195 via cif-deposit CGI script. |
4348195.cif |
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Users of the data should acknowledge the original authors of the
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