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Information card for entry 7704125
Preview
| Coordinates | 7704125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H84 Cu4 F48 N8 O20 |
|---|---|
| Calculated formula | C76 H84 Cu4 F48 N8 O20 |
| SMILES | [Cu]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O][Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[NH2]C1CC(C)(C)[N](C(C)(C1)C)=[O]3 |
| Title of publication | Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)<sub>2</sub> (M = Cu<sup>II</sup>, Co<sup>II</sup>) and Nd(hfac)<sub>3</sub> complexes of 4-amino-TEMPO. |
| Authors of publication | Navarro, Yolanda; Guedes, Guilherme P.; Cano, Joan; Ocón, Pilar; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 19 |
| Pages of publication | 6280 - 6294 |
| a | 18.3236 ± 0.0005 Å |
| b | 18.3236 ± 0.0005 Å |
| c | 15.2023 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5104.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252778 (current) | 2020-06-05 | cif/ Updating files of 7704121, 7704122, 7704123, 7704124, 7704125 Original log message: Adding full bibliography for 7704121--7704125.cif. |
7704125.cif |
| 250911 | 2020-04-18 | cif/ Adding structures of 7704121, 7704122, 7704123, 7704124, 7704125 via cif-deposit CGI script. |
7704125.cif |
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Users of the data should acknowledge the original authors of the
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