Crystallography Open Database

Information card for entry 7044263

Preview

Coordinates	7044263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl4 Dy2 O10
Calculated formula	C30 H50 Cl4 Dy2 O10
SMILES	c12O[Dy]([O]3CCCC3)([O]3CCCC3)(Cl)(Oc1cc1c(c2)O[Dy](O1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cl)Cl)([O]1CCCC1)Cl
Title of publication	Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes
Authors of publication	Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.
Journal of publication	Dalton Trans.
Year of publication	2017
a	9.0173 ± 0.0005 Å
b	14.9995 ± 0.0009 Å
c	14.8171 ± 0.0008 Å
α	90°
β	106.402 ± 0.006°
γ	90°
Cell volume	1922.5 ± 0.2 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201015 (current)	2017-09-19	cif/ Adding structures of 7044263, 7044264, 7044265 via cif-deposit CGI script.	7044263.cif