Crystallography Open Database

Information card for entry 7250498

Preview

Coordinates	7250498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H70 Co2 Er2 N6 O20
Calculated formula	C36 H70 Co2 Er2 N6 O20
Title of publication	Variations of heterometallic cores and magnetic properties in Co(iii)–Y/Ln isobutyrate clusters with N-butyldiethanolamine: from tetranuclear to octanuclear clusters
Authors of publication	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Chumakov, Yurii; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	23
Pages of publication	18209 - 18223
a	14.8137 ± 0.0004 Å
b	9.4719 ± 0.0003 Å
c	19.6397 ± 0.0005 Å
α	90°
β	100.451 ± 0.002°
γ	90°
Cell volume	2710.01 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0567
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
299919 (current)	2025-06-03	cif/ Adding structures of 7250493, 7250494, 7250495, 7250496, 7250497, 7250498, 7250499, 7250500, 7250501, 7250502 via cif-deposit CGI script.	7250498.cif