Crystallography Open Database

Information card for entry 4515169

Preview

Coordinates	4515169.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nickel(II) Magnesium(II) dimethoxysalen
Chemical name	Nickel(II) Magnesium(II) dimethoxysalen
Formula	C18 H20 Mg N4 Ni O11
Calculated formula	C18 H20 Mg N4 Ni O11
SMILES	[Ni]123[O]4[Mg]567([O](C)c8c([O]15)c(C=[N]3CC[N]2=Cc1cccc(c14)[O]7C)ccc8)([O]=N(=O)O6)[OH2].O=N(=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	8.2292 ± 0.0008 Å
b	11.4209 ± 0.0011 Å
c	11.5013 ± 0.0011 Å
α	83.169 ± 0.008°
β	84.59 ± 0.008°
γ	85.07 ± 0.008°
Cell volume	1065.44 ± 0.18 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0957
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
220271 (current)	2019-10-28	cif/ Adding structures of 4515169 via cif-deposit CGI script.	4515169.cif