Crystallography Open Database

Information card for entry 7126386

Preview

Coordinates	7126386.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Y(Cp*)2(Me3AlNEt3)]2[Al{OC(CF3)3}4]2(C6H5Cl)3
Formula	C108 H123 Al4 Cl3 F72 N2 O8 Y2
Calculated formula	C108 H123 Al4 Cl3 F72 N2 O8 Y2
Title of publication	A double-dysprosocenium single-molecule magnet bound together with neutral ligands.
Authors of publication	Evans, Peter; Reta, Daniel; Goodwin, Conrad A. P.; Ortu, Fabrizio; Chilton, Nicholas F.; Mills, David P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	42
Pages of publication	5677 - 5680
a	14.1215 ± 0.0002 Å
b	30.3026 ± 0.0003 Å
c	16.0232 ± 0.0002 Å
α	90°
β	98.421 ± 0.001°
γ	90°
Cell volume	6782.7 ± 0.15 Å³
Cell temperature	100.02 ± 0.1 K
Ambient diffraction temperature	100.02 ± 0.1 K
Number of distinct elements	8
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	0.0861
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.227
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
252703 (current)	2020-06-05	cif/ Updating files of 7126383, 7126384, 7126385, 7126386, 7126387, 7126388 Original log message: Adding full bibliography for 7126383--7126388.cif.	7126386.cif
250868	2020-04-17	cif/ Adding structures of 7126383, 7126384, 7126385, 7126386, 7126387, 7126388 via cif-deposit CGI script.	7126386.cif