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Information card for entry 7001899
Preview
| Coordinates | 7001899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-4-pyridil-nitronylnitroxide-bis-2-phenyl- trifluoroacetylacetonate-copper |
|---|---|
| Chemical name | bis-4-pyridil-nitronylnitroxide-bis-2-phenyl-trifluoroacetylacetonate-copper |
| Formula | C32 H28 Cu F6 N3 O6 |
| Calculated formula | C32 H28 Cu F6 N3 O6 |
| Title of publication | New copper(II)-radical one dimensional chain: Synthesis, crystal structure, EPR, magnetic properties and DFT calculations |
| Authors of publication | Souza, Denise A.; Florencio, Antonio S.; Soriano, Stéphane; Calvo, Rafael; Sartoris, Rosana P.; Walkimar de M. Carneiro, José; Sangregorio, Claudio; Novak, Miguel A.; Vaz, Maria G. F. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 34 |
| Pages of publication | 6816 - 6824 |
| a | 10.367 ± 0.002 Å |
| b | 11.273 ± 0.002 Å |
| c | 14.707 ± 0.003 Å |
| α | 75.84 ± 0.03° |
| β | 85.05 ± 0.03° |
| γ | 85.44 ± 0.03° |
| Cell volume | 1657.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179716 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/18. |
7001899.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001899.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001899.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001899.cif |
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