Crystallography Open Database

Information card for entry 7126387

Preview

Coordinates	7126387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H116 Al2 Y2
Calculated formula	C76 H116 Al2 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	11.2354 ± 0.0003 Å
b	12.454 ± 0.0003 Å
c	14.8193 ± 0.0002 Å
α	103.894 ± 0.0017°
β	100.299 ± 0.0017°
γ	111.86 ± 0.002°
Cell volume	1783.5 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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.	7126387.cif
250868	2020-04-17	cif/ Adding structures of 7126383, 7126384, 7126385, 7126386, 7126387, 7126388 via cif-deposit CGI script.	7126387.cif