Crystallography Open Database

Information card for entry 4515165

Preview

Coordinates	4515165.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Copper(II) Magnesium(II) dimethoxysalen
Formula	C18 H18 Cu Mg N4 O10
Calculated formula	C18 H18 Cu Mg N4 O10
SMILES	[Cu]123[O]4[Mg]567([O](C)c8c4c(C=[N]3CC[N]1=Cc1cccc([O]7C)c1[O]26)ccc8)([O]=N(=O)O5)ON(=O)=O
Title of publication	Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.
Authors of publication	Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	6
Pages of publication	10231 - 10242
a	7.6984 ± 0.0009 Å
b	10.9592 ± 0.0011 Å
c	12.8941 ± 0.0014 Å
α	90.486 ± 0.009°
β	97.941 ± 0.009°
γ	111.744 ± 0.008°
Cell volume	998.7 ± 0.2 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 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	0.1327
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
220267 (current)	2019-10-28	cif/ Adding structures of 4515165 via cif-deposit CGI script.	4515165.cif