Information card for entry 2221749
Chemical name |
{6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II) monohydrate |
Formula |
C23 H30 Cu N2 O5 |
Calculated formula |
C23 H30 Cu N2 O5 |
SMILES |
[Cu]123Oc4c(OCC)cccc4C=[N]2CC(C[N]3=Cc2cccc(OCC)c2O1)(C)C.O |
Title of publication |
{6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II) monohydrate |
Authors of publication |
Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun; Jamshidvand, Arezoo |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
m515 - m516 |
a |
9.427 ± 0.003 Å |
b |
10.805 ± 0.003 Å |
c |
12.771 ± 0.004 Å |
α |
114.554 ± 0.013° |
β |
99.479 ± 0.014° |
γ |
102.676 ± 0.014° |
Cell volume |
1105.3 ± 0.6 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 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 |
0.035 |
Residual factor for significantly intense reflections |
0.029 |
Weighted residual factors for significantly intense reflections |
0.0737 |
Weighted residual factors for all reflections included in the refinement |
0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
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/2221749.html