Information card for entry 2237001
Chemical name |
{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate |
Formula |
C22 H26 Cu N2 O5 |
Calculated formula |
C22 H26 Cu N2 O5 |
SMILES |
[Cu]123[N](=Cc4c(c(OC)ccc4)O1)[C@H]1[C@@H]([N]3=Cc3c(c(OC)ccc3)O2)CCCC1.O |
Title of publication |
{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate |
Authors of publication |
Hu, Chunmei; Zhao, Shunsheng; Lü, Xingqiang; Lu, Rong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
12 |
Pages of publication |
m1458 |
a |
11.2116 ± 0.0013 Å |
b |
10.5256 ± 0.0012 Å |
c |
18.171 ± 0.007 Å |
α |
90° |
β |
106.185 ± 0.002° |
γ |
90° |
Cell volume |
2059.4 ± 0.9 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0685 |
Residual factor for significantly intense reflections |
0.0496 |
Weighted residual factors for significantly intense reflections |
0.0972 |
Weighted residual factors for all reflections included in the refinement |
0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
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/2237001.html