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Information card for entry 7223275
Preview
Coordinates | 7223275.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H28 Cu3 I4 N8 S2 |
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Calculated formula | C16 H28 Cu3 I4 N8 S2 |
SMILES | [Cu]12([S](=C3N(C)CCN3C3N(C)CC[N]1=3)[Cu]13([Cu]([I]1)([I]3)I)I)[S]=C1N(C)CCN1C1N(C)CC[N]=12 |
Title of publication | Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes |
Authors of publication | Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 15.7968 ± 0.0008 Å |
b | 18.0753 ± 0.0008 Å |
c | 19.9867 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5706.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0519 |
Weighted residual factors for all reflections included in the refinement | 0.0545 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/7223275.html
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