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Information card for entry 2243555
Preview
| Coordinates | 2243555.cif |
|---|---|
| Structure factors | 2243555.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II) |
|---|---|
| Formula | C14 H25 Cl2 Cu2 N5 O2 |
| Calculated formula | C14 H25 Cl2 Cu2 N5 O2 |
| SMILES | c1(cc(C)[n]([Cu]2(Cl)n3c(cc(C)[n]3[Cu]34(Cl)[NH](CC[O]23)CC[OH]4)C)[nH]1)C |
| Title of publication | Crystal structure of dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-(μ~2~-3,5-dimethyl-1<i>H</i>-pyrazolato-1κ<i>N</i>^2^:2κ<i>N</i>^1^)(3,5-dimethyl-1<i>H</i>-pyrazole-2κ<i>N</i>^2^){μ-2-[(2-hydroxyethyl)amino-1κ^2^<i>N</i>,<i>O</i>]ethanolato-1:2κ^2^<i>O</i>:<i>O</i>}dicopper(II) |
| Authors of publication | Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Safyanova, Inna S.; Znovjyak, Kateryna; Shova, Sergiu; Safarmamadov, Safarmamad M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| Pages of publication | 1503 - 1507 |
| a | 9.0732 ± 0.0005 Å |
| b | 10.746 ± 0.0006 Å |
| c | 11.5578 ± 0.0006 Å |
| α | 92.373 ± 0.004° |
| β | 102.383 ± 0.005° |
| γ | 112.703 ± 0.005° |
| Cell volume | 1005.71 ± 0.11 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 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 | 0.0328 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255658 (current) | 2020-08-26 | cif/ hkl/ Adding structures of 2243555 via cif-deposit CGI script. |
2243555.cif 2243555.hkl |
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Users of the data should acknowledge the original authors of the
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