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Information card for entry 2209178
Preview
Coordinates | 2209178.cif |
---|---|
Structure factors | 2209178.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-piperidine-1-dithiocarboxylato-κ^2^S:S')[bis(piperidine-1- dithiocarboxylato-κ^2^S,S')zinc(II)] |
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Formula | C24 H40 N4 S8 Zn2 |
Calculated formula | C24 H40 N4 S8 Zn2 |
SMILES | C1(=[S][Zn]2(S1)[S]=C(N1CCCCC1)S[Zn]1([S]=C(N3CCCCC3)S1)[S]=C(N1CCCCC1)S2)N1CCCCC1 |
Title of publication | Bis(μ-piperidine-1-dithiocarboxylato-κ^2^<i>S</i>:<i>S</i>')[bis(piperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')zinc(II)] |
Authors of publication | Shaheen, Farkhanda; Gieck, Christine; Badshah, Amin; Kaleem Khosa, Muhammad |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | m1186 - m1187 |
a | 8.7109 ± 0.0019 Å |
b | 9.624 ± 0.002 Å |
c | 11.3166 ± 0.0016 Å |
α | 103.343 ± 0.017° |
β | 97.502 ± 0.015° |
γ | 112.87 ± 0.02° |
Cell volume | 824.5 ± 0.3 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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0703 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
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/2209178.html
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Users of the data should acknowledge the original authors of the
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