Crystallography Open Database

Information card for entry 7718536

Preview

Coordinates	7718536.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[5%Dy@Y(PH*O)2(THF)3Cl]
Formula	C84 H90 Cl Dy0.05 O5 Y0.95
Calculated formula	C84 H90 Cl Dy0.05 O5 Y0.95
Title of publication	Direct characterisation of <i>m</i><sub><i>J</i></sub> = ±15/2 ground state in octahedral Dy(III) single-molecule magnets.
Authors of publication	Parmar, Vijay S.; Gransbury, Gemma K.; Corner, Sophie C.; Chou, Wei-Hao; Hill, Stephen; Winpenny, Richard E. P.; Chilton, Nicholas F.; Mills, David P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	19
Pages of publication	7616 - 7620
a	13.6646 ± 0.0003 Å
b	18.218 ± 0.0005 Å
c	18.4204 ± 0.0004 Å
α	118.073 ± 0.002°
β	96.087 ± 0.002°
γ	93.434 ± 0.002°
Cell volume	3991.66 ± 0.18 Å³
Cell temperature	100.02 ± 0.13 K
Ambient diffraction temperature	100.02 ± 0.13 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	0.0347
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
300828 (current)	2025-07-06	cif/ Updating files of 7718533, 7718534, 7718535, 7718536 Original log message: Adding full bibliography for 7718533--7718536.cif.	7718536.cif
299321	2025-04-18	cif/ Adding structures of 7718533, 7718534, 7718535, 7718536 via cif-deposit CGI script.	7718536.cif