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Information card for entry 7037514
Preview
Coordinates | 7037514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H108 Cu4 I4 N4 O8 S8 |
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Calculated formula | C116 H108 Cu4 I4 N4 O8 S8 |
SMILES | [I]1[Cu]23[I][Cu]41[S]1Cc5c(cccc5)OCc5cccc(n5)COc5c(C[S]6Cc7c(C[S](Cc8c(OCc9nc(COc%10c(C[S]4Cc4c(C1)cccc4)cccc%10)ccc9)cccc8)[Cu]16[I][Cu]4([I]1)[S]1Cc6c(cccc6)OCc6cccc(COc8c(C[S]2Cc2c(C[S]3Cc3ccccc3OCc3nc(COc9c(C[S]4Cc4c(C1)cccc4)cccc9)ccc3)cccc2)cccc8)n6)cccc7)cccc5 |
Title of publication | A double decker type complex: copper(i) iodide complexation with mixed donor macrocycles via [1 : 1] and [2 : 2] cyclisations. |
Authors of publication | Kang, Yunji; Park, In-Hyeok; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 11 |
Pages of publication | 4528 - 4533 |
a | 14.5063 ± 0.0018 Å |
b | 15.144 ± 0.002 Å |
c | 18.221 ± 0.003 Å |
α | 98.408 ± 0.01° |
β | 96.873 ± 0.009° |
γ | 118.076 ± 0.008° |
Cell volume | 3411.4 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2566 |
Residual factor for significantly intense reflections | 0.1437 |
Weighted residual factors for significantly intense reflections | 0.3599 |
Weighted residual factors for all reflections included in the refinement | 0.3946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7037514.html
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