Crystallography Open Database

Information card for entry 7128795

Preview

Coordinates	7128795.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Dy(OAd*)2Cl2]
Formula	C96 H154 Cl2 Dy Na O11
Calculated formula	C96 H154 Cl2 Dy Na O11
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	11.39679 ± 0.00013 Å
b	46.8821 ± 0.0005 Å
c	16.9513 ± 0.0002 Å
α	90°
β	94.0073 ± 0.0011°
γ	90°
Cell volume	9035.03 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.0578
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
269611 (current)	2021-10-06	cif/ Updating files of 7128795, 7128796, 7128797, 7128798 Original log message: Adding full bibliography for 7128795--7128798.cif.	7128795.cif
268051	2021-08-13	cif/ Adding structures of 7128795, 7128796, 7128797, 7128798 via cif-deposit CGI script.	7128795.cif