Crystallography Open Database

Information card for entry 7044214

Preview

Coordinates	7044214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H76 B4 N12 O18.5 Y2
Calculated formula	C40.5 H76 B4 N12 O18.5 Y2
Title of publication	Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes
Authors of publication	Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.3026 ± 0.0008 Å
b	11.8817 ± 0.0007 Å
c	13.8646 ± 0.0011 Å
α	71.183 ± 0.006°
β	81.824 ± 0.006°
γ	87.703 ± 0.006°
Cell volume	1590.1 ± 0.2 Å³
Cell temperature	130.01 ± 0.1 K
Ambient diffraction temperature	130.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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

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