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Information card for entry 4338929
Preview
| Coordinates | 4338929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H24 Cu2 F24 N3 O10 |
|---|---|
| Calculated formula | C34 H24 Cu2 F24 N3 O10 |
| SMILES | [Cu]12([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1cccc(C2=N(=[O][Cu]34([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[C@@]([C@]([N]2=O)(C)CC)(C)CC)c1.[Cu]12([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1cccc(C2=N(=[O][Cu]34([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[C@]([C@@]([N]2=O)(C)CC)(C)CC)c1 |
| Title of publication | New spin-transition-like copper(II)-nitroxide species. |
| Authors of publication | Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 18 |
| Pages of publication | 7545 - 7552 |
| a | 12.1128 ± 0.0012 Å |
| b | 24.104 ± 0.003 Å |
| c | 16.304 ± 0.002 Å |
| α | 90° |
| β | 102.694 ± 0.003° |
| γ | 90° |
| Cell volume | 4643.9 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.158 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1583 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179492 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89. |
4338929.cif |
| 117012 | 2014-06-14 | cif/ Adding structures of 4338927, 4338928, 4338929, 4338930, 4338931, 4338932, 4338933, 4338934, 4338935 via cif-deposit CGI script. |
4338929.cif |
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Users of the data should acknowledge the original authors of the
structural data.