Information card for entry 2218734
Chemical name |
<i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato- κ^2^<i>O</i>,<i>S</i>)nickel(II) |
Formula |
C44 H38 N4 Ni O2 S2 |
Calculated formula |
C44 H38 N4 Ni O2 S2 |
SMILES |
[Ni]12([S]=C(N(Cc3ccccc3)Cc3ccccc3)N=C(O1)c1ccccc1)[S]=C(N=C(O2)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |
Title of publication |
<i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato-κ^2^<i>O</i>,<i>S</i>)nickel(II) |
Authors of publication |
Pérez, Hiram; Corrêa, Rodrigo S.; Duque, Julio; Plutín, Ana M.; O'Reilly, Beatriz |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
7 |
Pages of publication |
m916 |
a |
5.5645 ± 0.0001 Å |
b |
19.7873 ± 0.0007 Å |
c |
33.859 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3728.09 ± 0.18 Å3 |
Cell temperature |
294 K |
Number of distinct elements |
6 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for significantly intense reflections |
0.0835 |
Weighted residual factors for all reflections included in the refinement |
0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.17 |
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/2218734.html