Crystallography Open Database

Information card for entry 7246466

Preview

Coordinates	7246466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H52 B4 Gd N
Calculated formula	C16 H52 B4 Gd N
Title of publication	Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands.
Authors of publication	Magott, Michał; Wegner, Wojciech
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	10689 - 10696
a	11.09 ± 0.0005 Å
b	19.997 ± 0.001 Å
c	14.7492 ± 0.0007 Å
α	90°
β	128.282 ± 0.001°
γ	90°
Cell volume	2567.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.32
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283507 (current)	2023-05-05	cif/ Updating files of 7246466 Original log message: Adding full bibliography for 7246466.cif.	7246466.cif
281939	2023-03-18	cif/ Adding structures of 7246466 via cif-deposit CGI script.	7246466.cif