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Information card for entry 1544983
Preview
Coordinates | 1544983.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 Cu4 I4 N6 S4 |
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Calculated formula | C34 H30 Cu4 I4 N6 S4 |
SMILES | [I]12[Cu]3456[I]7[Cu]814([I][Cu]128[S](c2[n]6cccc2)Cc2[n]1c(ccc2)CSc1ncccc1)[n]1ccccc1[S]1[Cu]57([I]3)[n]2c(C1)cccc2CSc1ncccc1 |
Title of publication | Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation |
Authors of publication | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 4 |
Pages of publication | 2592 |
a | 14.003 ± 0.0003 Å |
b | 8.7535 ± 0.0002 Å |
c | 16.9635 ± 0.0003 Å |
α | 90° |
β | 93.969 ± 0.001° |
γ | 90° |
Cell volume | 2074.32 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0186 |
Residual factor for significantly intense reflections | 0.0168 |
Weighted residual factors for significantly intense reflections | 0.0415 |
Weighted residual factors for all reflections included in the refinement | 0.0422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1544983.html
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Users of the data should acknowledge the original authors of the
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