Crystallography Open Database

Information card for entry 4515168

Preview

Coordinates	4515168.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Copper(II) Strontium(II) dimethoxysalen
Formula	C18 H20 Cu N4 O11 Sr
Calculated formula	C18 H20 Cu N4 O11 Sr
SMILES	[Sr]12345([O]6[Cu]78[O]2c2c([O]1C)cccc2C=[N]7CC[N]8=Cc1c6c([O]4C)ccc1)(ON(=[O]5)=O)(ON(=O)=[O]3)[OH2]
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	22.7055 ± 0.0005 Å
b	8.6682 ± 0.0005 Å
c	11.1732 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2199.1 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
220270 (current)	2019-10-28	cif/ Adding structures of 4515168 via cif-deposit CGI script.	4515168.cif