Information card for entry 2212761
Chemical name |
Di-μ-chloro-bis[(3,4-η)-(2,5-dimethylhex-3-yne-2,5-diol)copper(I)] |
Formula |
C16 H28 Cl2 Cu2 O4 |
Calculated formula |
C16 H28 Cl2 Cu2 O4 |
SMILES |
[Cu]13([Cl][Cu]4([Cl]1)[C](#[C]4C(C)(C)O)C(C)(C)O)[C](#[C]3C(C)(C)O)C(C)(C)O |
Title of publication |
Di-μ-chlorido-bis{[(3,4-η)-2,5-dimethylhex-3-yne-2,5-diol]copper(I)} |
Authors of publication |
Imhof, Wolfgang; Schmidt, Andreas; Walther, Dirk |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
m968 - m970 |
a |
8.981 ± 0.002 Å |
b |
11.056 ± 0.002 Å |
c |
11.676 ± 0.002 Å |
α |
92.11 ± 0.03° |
β |
112.13 ± 0.03° |
γ |
101.39 ± 0.03° |
Cell volume |
1044.9 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0616 |
Residual factor for significantly intense reflections |
0.0515 |
Weighted residual factors for significantly intense reflections |
0.1309 |
Weighted residual factors for all reflections included in the refinement |
0.1433 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.143 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2212761.html