Crystallography Open Database

Information card for entry 4515162

Preview

Coordinates	4515162.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Copper(II) Calcium(II) dimethoxysalen
Formula	C18 H18 Ca Cu N4 O10
Calculated formula	C18 H18 Ca Cu N4 O10
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	11.716 ± 0.0006 Å
b	12.8272 ± 0.0007 Å
c	13.7268 ± 0.0007 Å
α	90°
β	91.441 ± 0.004°
γ	90°
Cell volume	2062.26 ± 0.19 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
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	0.0742
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
220264 (current)	2019-10-28	cif/ Adding structures of 4515162 via cif-deposit CGI script.	4515162.cif