Crystallography Open Database

Information card for entry 7718899

Preview

Coordinates	7718899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H108 Cl10 Dy6 N6 O28
Calculated formula	C54 H68 Cl8 Dy6 N6 O26
Title of publication	Trinuclear rare earth pyridyl-β-diketonate complexes: developing new methods towards finding lost toroidal spin states
Authors of publication	Mangundu, Patrick; Tanner, Kate; Bloomfield, Andrew Macaulay; Barnard, Peter; White, Keith Forrest; Ho, Curtis Craig; Yepuri, Nageshwar Rao; Mole, Richard; Fuller, Rebecca Olivia
Journal of publication	Dalton Transactions
Year of publication	2025
a	15.6133 ± 0.0004 Å
b	18.1248 ± 0.0006 Å
c	18.1431 ± 0.0007 Å
α	85.924 ± 0.003°
β	89.925 ± 0.002°
γ	74.263 ± 0.003°
Cell volume	4928.5 ± 0.3 Å³
Cell temperature	150.1 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300080 (current)	2025-06-14	cif/ Adding structures of 7718894, 7718895, 7718896, 7718897, 7718898, 7718899 via cif-deposit CGI script.	7718899.cif