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Information card for entry 1544984
Preview
Coordinates | 1544984.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]345[I][Cu]674[I]3[Cu]32([I][Cu]213[S](c1[n]5cccc1)Cc1[n]2c(ccc1)CSc1ncccc1)[n]1ccccc1[S]6Cc1[n]7c(ccc1)CSc1ncccc1 |
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 | 8.811 ± 0.0001 Å |
b | 10.0997 ± 0.0001 Å |
c | 12.544 ± 0.0002 Å |
α | 101.523 ± 0.001° |
β | 102.995 ± 0.001° |
γ | 104.283 ± 0.001° |
Cell volume | 1014.82 ± 0.02 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0184 |
Residual factor for significantly intense reflections | 0.0171 |
Weighted residual factors for significantly intense reflections | 0.0438 |
Weighted residual factors for all reflections included in the refinement | 0.0445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
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/1544984.html
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Users of the data should acknowledge the original authors of the
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