Information card for entry 2222251
Chemical name |
{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II) |
Formula |
C21 H24 N2 Ni O4 |
Calculated formula |
C21 H24 N2 Ni O4 |
SMILES |
[Ni]123Oc4ccc(cc4C=[N]2CC(C[N]3=Cc2c(ccc(OC)c2)O1)(C)C)OC |
Title of publication |
{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) |
Authors of publication |
Montazerozohori, Morteza; Habibi, Mohammad Hossein; Mokhtari, Reza; Yamane, Yuki; Suzuki, Takayoshi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
m703 |
a |
15.611 ± 0.0007 Å |
b |
9.1151 ± 0.0005 Å |
c |
26.8142 ± 0.0012 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3815.5 ± 0.3 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 ± 2 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0289 |
Residual factor for significantly intense reflections |
0.0256 |
Weighted residual factors for significantly intense reflections |
0.0688 |
Weighted residual factors for all reflections included in the refinement |
0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.71075 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/2222251.html