Crystallography Open Database

Information card for entry 7125602

Preview

Coordinates	7125602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.4 H88.8 Cu4 N12 O46 Y4
Calculated formula	C70.4 H88.8 Cu4 N12 O46 Y4
Title of publication	An octanuclear {Cu(II)4Dy(III)4} coordination cluster showing single molecule magnet behaviour from field accessible states.
Authors of publication	Kühne, Irina A; Magnani, Nicola; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	50
Journal issue	15
Pages of publication	1882 - 1885
a	24.8476 ± 0.0009 Å
b	14.0945 ± 0.0004 Å
c	25.6548 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8984.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
244388 (current)	2019-11-28	cif/ Adding structures of 7125601, 7125602 via cif-deposit CGI script.	7125602.cif