Crystallography Open Database

Information card for entry 1569017

Preview

Coordinates	1569017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H127 K N6 O9 Tb2
Calculated formula	C84 H127 K N6 O9 Tb2
Title of publication	Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.
Authors of publication	Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	21
Pages of publication	5577 - 5592
a	12.9981 ± 0.0001 Å
b	18.0236 ± 0.0002 Å
c	18.9237 ± 0.0002 Å
α	81.646 ± 0.001°
β	81.526 ± 0.001°
γ	74.92 ± 0.001°
Cell volume	4207.27 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0698
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284247 (current)	2023-06-05	cif/ Updating files of 1569012, 1569013, 1569014, 1569015, 1569016, 1569017 Original log message: Adding full bibliography for 1569012--1569017.cif.	1569017.cif
282963	2023-05-04	cif/ Adding structures of 1569012, 1569013, 1569014, 1569015, 1569016, 1569017 via cif-deposit CGI script.	1569017.cif