Information card for entry 2203276
Chemical name |
Bis(triethanolamine-κ^3^N,O,O')copper(II) squarate |
Formula |
C16 H30 Cu N2 O10 |
Calculated formula |
C16 H30 Cu N2 O10 |
SMILES |
[Cu]1234([OH]CC[N]2(CC[OH]1)CCO)[OH]CC[N]3(CC[OH]4)CCO.C1(=O)C(=O)C([O-])=C1[O-] |
Title of publication |
Bis(triethanolamine-κ^3^<i>N,O,O</i>')copper(II) squarate |
Authors of publication |
Ucar, Ibrahim; Yesilel, Okan Zafer; Bulut, Ahmet; Icbudak, Hasan; Olmez, Halis; Kazak, Canan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
3 |
Pages of publication |
m322 - m324 |
a |
8.145 ± 0.005 Å |
b |
13.634 ± 0.005 Å |
c |
9.082 ± 0.005 Å |
α |
90° |
β |
101.206 ± 0.005° |
γ |
90° |
Cell volume |
989.3 ± 0.9 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0472 |
Residual factor for significantly intense reflections |
0.0265 |
Weighted residual factors for significantly intense reflections |
0.0482 |
Weighted residual factors for all reflections included in the refinement |
0.0503 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.774 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2203276.html