Information card for entry 2221257
Chemical name |
Aquadinitrato(quioxalino[2,3-<i>f</i>][1,10]phenanthroline)nickel(II) monohydrate |
Formula |
C18 H14 N6 Ni O8 |
Calculated formula |
C18 H14 N6 Ni O8 |
SMILES |
c12c3c4[n](ccc3)[Ni]([n]3c4c(ccc3)c2nc2ccccc2n1)(ON(=O)=O)(ON(=O)=O)[OH2].O |
Title of publication |
Aquadinitrato(quioxalino[2,3-<i>f</i>][1,10]phenanthroline)nickel(II) monohydrate |
Authors of publication |
Wang, Jia-Tian; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
m475 |
a |
7.3 ± 0.003 Å |
b |
27.872 ± 0.012 Å |
c |
9.95 ± 0.004 Å |
α |
90° |
β |
109.005 ± 0.006° |
γ |
90° |
Cell volume |
1914.1 ± 1.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
273 ± 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 |
0.0792 |
Residual factor for significantly intense reflections |
0.047 |
Weighted residual factors for significantly intense reflections |
0.1125 |
Weighted residual factors for all reflections included in the refinement |
0.1253 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.991 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221257.html