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 E.; Bloomfield, Andrew; Barnard, Peter J.; White, Keith F.; Ho, Curtis C.; Yepuri, Nageshwar R.; Mole, Richard A.; Fuller, Rebecca O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	26
Pages of publication	10455 - 10466
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
300802 (current)	2025-07-06	cif/ Updating files of 7718894, 7718895, 7718896, 7718897, 7718898, 7718899 Original log message: Adding full bibliography for 7718894--7718899.cif.	7718897.cif
300080	2025-06-14	cif/ Adding structures of 7718894, 7718895, 7718896, 7718897, 7718898, 7718899 via cif-deposit CGI script.	7718897.cif