Crystallography Open Database

Information card for entry 7044219

Preview

Coordinates	7044219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 B4 N24 O4 Y2
Calculated formula	C44 H46 B4 N24 O4 Y2
SMILES	[Y]12345(Oc6c(O1)c(c1O[Y]789%10(Oc1c6C)([n]1n(ccc1)[BH](n1[n]7ccc1)n1[n]8ccc1)[n]1n(ccc1)[BH](n1[n]9ccc1)n1[n]%10ccc1)C)([n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]4ccc1)n1[n]5ccc1
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	49.226 ± 0.007 Å
b	49.226 ± 0.007 Å
c	13.22 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	27743 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200874 (current)	2017-09-14	cif/ Adding structures of 7044213, 7044214, 7044215, 7044216, 7044217, 7044218, 7044219 via cif-deposit CGI script.	7044219.cif