Information card for entry 2220882
Chemical name |
Di-μ-chlorido-bis[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)] |
Formula |
C16 H34 Cl4 Cu2 N6 O4 |
Calculated formula |
C16 H34 Cl4 Cu2 N6 O4 |
SMILES |
C1[N]2(C)[Cu]3(Cl)([Cl][Cu]4([N]5(CC(C[N]4(CC5)C)(C)N(=O)=O)C)(Cl)[Cl]3)[N](CC1(N(=O)=O)C)(CC2)C |
Title of publication |
Di-μ-chlorido-bis[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)] |
Authors of publication |
Bortoluzzi, Adailton J.; Neves, Ademir; Peralta, Rosely A.; Camargo, Tiago P.; Weiss, Vitor C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
2 |
Pages of publication |
m144 - m145 |
a |
10.5478 ± 0.0002 Å |
b |
10.9251 ± 0.0002 Å |
c |
11.443 ± 0.0002 Å |
α |
90° |
β |
102.297 ± 0.001° |
γ |
90° |
Cell volume |
1288.39 ± 0.04 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
6 |
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 |
0.0404 |
Residual factor for significantly intense reflections |
0.0296 |
Weighted residual factors for significantly intense reflections |
0.0779 |
Weighted residual factors for all reflections included in the refinement |
0.0832 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.067 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2220882.html