Crystallography Open Database

Information card for entry 1557325

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Coordinates	1557325.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-bis(2-hydroxybenzyl)piperazine copper(II) acetate
Formula	C22 H26 Cu2 N2 O6
Calculated formula	C22 Cu2 N2 O6
SMILES	[Cu]123([O]=C(O1)C)[O](c1c(cccc1)C[N]12CC[N]2(CC1)[Cu]1([O]=C(O1)C)[O](c1c(C2)cccc1)[Cu]1[O]=C(O1)C)[Cu]12([O]3c3c(C[N]14CCN(CC4)Cc1c([O-])cccc1)cccc3)[O]=C(O2)C
Title of publication	Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.
Authors of publication	Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	1162 - 1168
a	12.197 ± 0.004 Å
b	7.061 ± 0.003 Å
c	13.3 ± 0.004 Å
α	90°
β	98.83 ± 0.02°
γ	90°
Cell volume	1131.9 ± 0.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248229 (current)	2020-02-17	cif/ Adding structures of 1557325 via cif-deposit CGI script.	1557325.cif