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Information card for entry 4325445
Preview
Coordinates | 4325445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H25 Cl2 Cu Hg2 I5 O3 S4 n2 |
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Calculated formula | C20 H25 Cl2 Cu Hg2 I5 N2 O3 S4 |
SMILES | [Hg](I)(I)[S]1CC[S]2[Cu]34([n]5c(cccc5C2)C[S]3CC[S]4Cc2cccc(C1)c2)ON(=O)=O.[Hg](I)(I)[I-].C(Cl)Cl |
Title of publication | Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle |
Authors of publication | Eunji Lee; Shim Sung Lee |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5803 - 5807 |
a | 8.5739 ± 0.0007 Å |
b | 13.887 ± 0.0011 Å |
c | 15.6684 ± 0.0012 Å |
α | 80.024 ± 0.003° |
β | 81.731 ± 0.004° |
γ | 89.926 ± 0.003° |
Cell volume | 1817.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0975 |
Residual factor for significantly intense reflections | 0.0888 |
Weighted residual factors for significantly intense reflections | 0.2094 |
Weighted residual factors for all reflections included in the refinement | 0.2145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4325445.html
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