Crystallography Open Database

Information card for entry 2243940

Preview

Structure parameters

Chemical name	Dichloridobis{(2<i>S</i>,5<i>R</i>)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II)
Formula	C32 H46 Cl4 N6 Ni2 O2
Calculated formula	C32 H46 Cl4 N6 Ni2 O2
SMILES	[Ni]123([Cl][Ni]45([Cl]1)(Cl)[N](O)=C1C[C@H](C(=C)C)CC[C@@]1([NH]4Cc1[n]5cccc1)C)(Cl)[n]1c(cccc1)C[NH]3[C@@]1(C(=[N]2O)C[C@H](C(=C)C)CC1)C
Title of publication	Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex
Authors of publication	Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	11
a	13.3729 ± 0.0009 Å
b	8.9363 ± 0.0007 Å
c	16.4248 ± 0.0016 Å
α	90°
β	114.014 ± 0.002°
γ	90°
Cell volume	1792.9 ± 0.3 Å³
Cell temperature	100.02 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
270045 (current)	2021-10-20	cif/ hkl/ Adding structures of 2243940 via cif-deposit CGI script.	2243940.cif 2243940.hkl