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Information card for entry 1518847
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| Coordinates | 1518847.cif |
|---|
| Chemical name | μ hydroxo-μ oximato-O-(4,4-dimethyl-8-ethyl-5,8-diazaoctan-2-one oxime κ^3^-N,N',N")copper(II) (4,4-dimethyl-8-ethyl-5,8-diazaoctan-2- one oximato κ^3^ N,N'N")copper(II) diperchlorate |
|---|---|
| Formula | C24 H54 Cl2 Cu2 N6 O11 |
| Calculated formula | C24 H54 Cl2 Cu2 N6 O11 |
| SMILES | [Cu]123([N](=C(C)CC(C)(C)[NH]1CC[N]2(CC)CC)O)[OH][Cu]12[N](=C(C)CC(C)(C)[NH]1CC[N]2(CC)CC)O3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime) |
| Authors of publication | Neil F. Curtis; Kelly Flood; Ward T. Robinson |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2015 |
| Journal volume | 424 |
| Pages of publication | 173 - 175 |
| a | 13.2773 ± 0.001 Å |
| b | 19.3218 ± 0.0016 Å |
| c | 14.0515 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3604.8 ± 0.5 Å3 |
| Cell temperature | 165 ± 2 K |
| Ambient diffraction temperature | 165 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518847.cif |
| 133924 | 2015-03-14 | cif/ Adding structures of 1518847 via cif-deposit CGI script. |
1518847.cif |
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Users of the data should acknowledge the original authors of the
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