Crystallography Open Database

Information card for entry 2203663

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Structure parameters

Chemical name	(2-{2-[α-(5-chloro-2-oxidophenyl)benzylideneamino]phenyliminomethyl}- 5-hydroxyphenolato)nickel(II) methanol disolvate
Formula	C28 H25 Cl N2 Ni O5
Calculated formula	C28 H25 Cl N2 Ni O5
SMILES	[Ni]123Oc4c(C=[N]2c2c([N]1=C(c1c(O3)ccc(Cl)c1)c1ccccc1)cccc2)ccc(O)c4.CO.CO
Title of publication	A nickel(II) complex of an unsymmetrical tetradentate Schiff base
Authors of publication	Zhu, Bixue; Ruang, Wenjuan; Zhu, Zhiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	m634 - m636
a	13.856 ± 0.01 Å
b	14.172 ± 0.01 Å
c	15.863 ± 0.011 Å
α	95.181 ± 0.012°
β	101.862 ± 0.012°
γ	119.151 ± 0.011°
Cell volume	2595 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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