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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2020396.html
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