Crystallography Open Database

Information card for entry 7044264

Preview

Coordinates	7044264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl4 O10 Y2
Calculated formula	C30 H50 Cl4 O10 Y2
SMILES	c12c(O[Y]([O]3CCCC3)([O]3CCCC3)(O1)([O]1CCCC1)(Cl)Cl)cc1c(c2)O[Y]([O]2CCCC2)([O]2CCCC2)(O1)([O]1CCCC1)(Cl)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	9.0004 ± 0.0002 Å
b	14.8832 ± 0.0003 Å
c	14.8047 ± 0.0003 Å
α	90°
β	106.16 ± 0.002°
γ	90°
Cell volume	1904.8 ± 0.07 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 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	0.0354
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7044264.cif