Crystallography Open Database

Information card for entry 2203702

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Structure parameters

Chemical name	trans-Bis{2-[3-(Cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate
Formula	C32 H48 N6 Ni O8
Calculated formula	C32 H48 N6 Ni O8
SMILES	c12C=[N]([Ni]3(Oc1cccc2)[N](=Cc1c(cccc1)O3)CCC[NH2+]C1CCCCC1)CCC[NH2+]C1CCCCC1.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	<i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate
Authors of publication	You, Zhong-Lu; Lin, Yong-Shan; Zhu, Hai-Liang; Liu, Wei-Sheng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	6
Pages of publication	m887 - m889
a	6.444 ± 0.002 Å
b	22.946 ± 0.005 Å
c	11.961 ± 0.002 Å
α	90°
β	102.02 ± 0.03°
γ	90°
Cell volume	1729.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1186
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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