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Information card for entry 7015790
Preview
Coordinates | 7015790.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 Cu I N4 S2 |
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Calculated formula | C10 H16 Cu I N4 S2 |
SMILES | I[Cu]([S]=C1N(C)C=CN1C)[S]=C1N(C)C=CN1C |
Title of publication | Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries. |
Authors of publication | Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3711 - 3723 |
a | 9.925 ± 0.002 Å |
b | 10.861 ± 0.002 Å |
c | 14.868 ± 0.003 Å |
α | 90° |
β | 92.02 ± 0.03° |
γ | 90° |
Cell volume | 1601.7 ± 0.5 Å3 |
Cell temperature | 168.15 K |
Ambient diffraction temperature | 168.15 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.0943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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