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Information card for entry 2020396
Preview
| Coordinates | 2020396.cif |
|---|---|
| Structure factors | 2020396.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-acetato-bis{μ~4~-1-[(2-oxidophenyl)carbonyl]-2-(propanamidomethanethioyl)hydrazine-1,2-diido}tetracopper(II) dimethylformamide disolvate |
|---|---|
| Formula | C32 H40 Cu4 N8 O12 S2 |
| Calculated formula | C32 H40 Cu4 N8 O12 S2 |
| SMILES | C12NC(CC)=[O][Cu]345[N]=2[N]2[Cu]6([O](c7ccccc7C=2O4)[Cu]24([N]7=C(NC(=[O]4)CC)S[Cu]4([N]7=C(c7c(cccc7)[O]34)O2)[O]=C(O5)C)[O]=C(O6)C)S1.N(C)(C)C=O.N(C)(C)C=O |
| Title of publication | Syntheses and structures of discrete copper(II) and cadmium(II) supramolecular complexes based on 1,4-diacylthiosemicarbazone ligands |
| Authors of publication | Jiao, Chen; Zhang, Si-Si; Li, Zuo-Yin; Liu, Jian-Jun; Lin, Mei-Jin; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 119 - 123 |
| a | 8.4421 ± 0.0017 Å |
| b | 11.435 ± 0.002 Å |
| c | 11.909 ± 0.002 Å |
| α | 111.67 ± 0.03° |
| β | 107.76 ± 0.03° |
| γ | 95.87 ± 0.03° |
| Cell volume | 987 ± 0.5 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020396.cif 2020396.hkl |
| 177475 | 2016-03-04 | cif/ Updating files of 2020396, 2020397 Original log message: Adding full bibliography for 2020396--2020397.cif. |
2020396.cif 2020396.hkl |
| 174512 | 2016-01-16 | cif/ hkl/ Adding structures of 2020396, 2020397 via cif-deposit CGI script. |
2020396.cif 2020396.hkl |
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