Crystallography Open Database

Information card for entry 7718896

Preview

Coordinates	7718896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H62 Cl6 Dy2 N5 O11
Calculated formula	C90 H62 Dy2 N5 O11
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	9.9809 ± 0.0002 Å
b	33.151 ± 0.0005 Å
c	26.2513 ± 0.0006 Å
α	90°
β	100.7 ± 0.003°
γ	90°
Cell volume	8534.9 ± 0.3 Å³
Cell temperature	149.8 ± 0.3 K
Ambient diffraction temperature	149.8 ± 0.3 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	0.0804
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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.	7718896.cif
300080	2025-06-14	cif/ Adding structures of 7718894, 7718895, 7718896, 7718897, 7718898, 7718899 via cif-deposit CGI script.	7718896.cif