Information card for entry 2227384
Chemical name |
Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')nickel(II) dibenzoate |
Formula |
C36 H30 N4 Ni O8 |
Calculated formula |
C36 H30 N4 Ni O8 |
SMILES |
c1cccc2C3(c4cccc[n]4[Ni]45([n]12)([OH]3)[n]1ccccc1C(c1cccc[n]41)([OH]5)O)O.C(=O)(c1ccccc1)[O-].C(=O)(c1ccccc1)[O-] |
Title of publication |
Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')nickel(II) dibenzoate |
Authors of publication |
Kim, Jin Hoon; Kim, Du-Hyun; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
10 |
Pages of publication |
m1281 - m1282 |
a |
24.065 ± 0.008 Å |
b |
8.681 ± 0.003 Å |
c |
17.718 ± 0.006 Å |
α |
90° |
β |
123.526 ± 0.005° |
γ |
90° |
Cell volume |
3085.6 ± 1.8 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.1156 |
Residual factor for significantly intense reflections |
0.0574 |
Weighted residual factors for significantly intense reflections |
0.0938 |
Weighted residual factors for all reflections included in the refinement |
0.1088 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
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/2227384.html