Crystallography Open Database

Information card for entry 7128797

Preview

Coordinates	7128797.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Y(OAr)2Cl2][Na(THF)6].3THF
Formula	C96 H154 Cl2 Na O11 Y
Calculated formula	C96 H154 Cl2 Na O11 Y
Title of publication	Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.
Authors of publication	Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	73
Pages of publication	9208 - 9211
a	11.3031 ± 0.0004 Å
b	46.2765 ± 0.0015 Å
c	16.8926 ± 0.0007 Å
α	90°
β	94.26 ± 0.004°
γ	90°
Cell volume	8811.6 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269611 (current)	2021-10-06	cif/ Updating files of 7128795, 7128796, 7128797, 7128798 Original log message: Adding full bibliography for 7128795--7128798.cif.	7128797.cif
268051	2021-08-13	cif/ Adding structures of 7128795, 7128796, 7128797, 7128798 via cif-deposit CGI script.	7128797.cif