Crystallography Open Database

Information card for entry 2021668

2021667 << 2021668 >> 2021669

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Structure parameters

Chemical name	Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^-bis({6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II))
Formula	C26 H24 Cu2 N16 O2
Calculated formula	C26 H24 Cu2 N16 O2
SMILES	[Cu]123(OC(=N[N]2=C(c2[n]1ccnc2)C)c1cnc(cc1)C)[N]([Cu]12(OC(=N[N]2=C(c2[n]1ccnc2)C)c1ccc(nc1)C)[N]3=N#N)=N#N
Title of publication	Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes
Authors of publication	Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	7
a	7.8491 ± 0.0005 Å
b	7.8762 ± 0.0006 Å
c	12.3391 ± 0.0008 Å
α	100.236 ± 0.002°
β	94.225 ± 0.002°
γ	101.865 ± 0.002°
Cell volume	729.81 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
216001 (current)	2019-06-15	cif/ hkl/ Adding structures of 2021668, 2021669 via cif-deposit CGI script.	2021668.cif 2021668.hkl