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Information card for entry 2007444
Preview
| Coordinates | 2007444.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(3,5-dimethylpyrazole-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')- copper(II) |
|---|---|
| Formula | C21 H27 Cu N5 O3 |
| Calculated formula | C21 H27 Cu N5 O3 |
| SMILES | [Cu]12(Oc3ccccc3C=[N]1C(C(=O)O2)(C)C)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C |
| Title of publication | Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) |
| Authors of publication | Warda, Salam A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 916 - 918 |
| a | 9.4468 ± 0.0009 Å |
| b | 10.7321 ± 0.0008 Å |
| c | 10.9452 ± 0.0009 Å |
| α | 91.601 ± 0.008° |
| β | 93.036 ± 0.009° |
| γ | 92.609 ± 0.009° |
| Cell volume | 1106.45 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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