Crystallography Open Database

Information card for entry 7063866

Preview

Coordinates	7063866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cu F12 N8
Calculated formula	C20 H18 Cu F12 N8
Title of publication	Uncommon mononuclear pyrazole–pyrazolate complexes of CoII, CuII and Zn
Authors of publication	Uvarova, Marina A.; Dolgushin, Fedor M.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Pettinari, Claudio; Eremenko, Igor L.; Nefedov, Sergey E.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	30
Pages of publication	13007 - 13014
a	17.982 ± 0.003 Å
b	17.969 ± 0.003 Å
c	15.915 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5142.4 ± 1.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063866.html