Crystallography Open Database

Information card for entry 7062483

Preview

Coordinates	7062483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Co N8 O2 S4
Calculated formula	C28 H32 Co N8 O2 S4
Title of publication	Hexacoordinated Co(ii) complex exhibiting strong magnetic anisotropy and field-induced slow magnetization relaxation: synthesis, magnetic characterization, and quantum-chemical modelling
Authors of publication	Tupolova, Yulia P.; Lebedev, Vladimir E.; Korchagin, Denis V.; Tkachev, Valery V.; Utenyshev, Andrey N.; Morgunov, Roman B.; Palii, Andrei V.; Shcherbakov, Igor N.; Aldoshin, Sergey M.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	22
Pages of publication	10884 - 10891
a	14.6399 ± 0.0008 Å
b	13.9674 ± 0.0005 Å
c	17.194 ± 0.0016 Å
α	90°
β	114.285 ± 0.005°
γ	90°
Cell volume	3204.7 ± 0.4 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
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	0.0486
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284938 (current)	2023-07-05	cif/ Updating files of 7062483 Original log message: Adding full bibliography for 7062483.cif.	7062483.cif
283706	2023-05-12	cif/ Adding structures of 7062483 via cif-deposit CGI script.	7062483.cif