Crystallography Open Database

Information card for entry 7708291

Preview

Coordinates	7708291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H96 Cr2 Fe4 N4 O24 Tb2
Calculated formula	C78 H96 Cr2 Fe4 N4 O24 Tb2
Title of publication	Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis
Authors of publication	Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.
Journal of publication	Dalton Transactions
Year of publication	2021
a	15.0231 ± 0.0004 Å
b	17.2324 ± 0.0005 Å
c	15.6619 ± 0.0004 Å
α	90°
β	99.737 ± 0.001°
γ	90°
Cell volume	3996.21 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0563
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
269139 (current)	2021-09-15	cif/ Adding structures of 7708291, 7708292, 7708293, 7708294, 7708295, 7708296 via cif-deposit CGI script.	7708291.cif