Crystallography Open Database

Information card for entry 7718897

Preview

Coordinates	7718897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H45 Cl4 Ho3 N3 O13.5
Calculated formula	C31 H42 Cl4 Ho3 N3 O13
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	31.884 ± 0.0001 Å
b	31.884 ± 0.0001 Å
c	26.8565 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	23644.3 ± 0.14 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7718897.cif