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Information card for entry 7029427
Preview
Coordinates | 7029427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 Br4 Cd Cl0 N4 O0 S4 |
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Calculated formula | C20 H18 Br4 Cd N4 S4 |
SMILES | [Cd](Br)(Br)([Br-])[Br-].n1ccccc1SSc1[nH+]cccc1.n1ccccc1SSc1[nH+]cccc1 |
Title of publication | New hybrid Cd(ii) compounds: synthesis and structural characterization. |
Authors of publication | Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5806 - 5814 |
a | 9.3666 ± 0.0005 Å |
b | 9.4698 ± 0.0006 Å |
c | 18.8322 ± 0.0011 Å |
α | 95.118 ± 0.004° |
β | 99.093 ± 0.004° |
γ | 117.228 ± 0.003° |
Cell volume | 1441.62 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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