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Information card for entry 7029428
Preview
Coordinates | 7029428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Cd Cl2 N10 O0 S2 |
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Calculated formula | C14 H14 Cd Cl2 N10 S2 |
SMILES | c1([n](cc[nH]1)[Cd](N=C=S)([n]1c(c2[nH]cc[nH+]2)[nH]cc1)(N=C=S)(Cl)Cl)c1[nH]cc[nH+]1 |
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 | 8.0161 ± 0.0016 Å |
b | 17.66 ± 0.004 Å |
c | 8.0715 ± 0.0016 Å |
α | 90° |
β | 113.9 ± 0.03° |
γ | 90° |
Cell volume | 1044.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0566 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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