Crystallography Open Database

Information card for entry 7063868

Preview

Coordinates	7063868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Cl2 Cu2 F12 N8 O4
Calculated formula	C31 H38 Cl2 Cu2 F12 N8 O4
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	20.9937 ± 0.0013 Å
b	10.3294 ± 0.0006 Å
c	20.7409 ± 0.0013 Å
α	90°
β	107.436 ± 0.001°
γ	90°
Cell volume	4291.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063868.html