Crystallography Open Database

Information card for entry 7058137

Preview

Coordinates	7058137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H84 Cl N6 Ni2 O10 Tb
Calculated formula	C66 H84 Cl N6 Ni2 O10 Tb
Title of publication	TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence
Authors of publication	Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	10
Pages of publication	4067
a	13.2418 ± 0.0005 Å
b	14.0078 ± 0.0006 Å
c	20.9681 ± 0.0005 Å
α	90.264 ± 0.003°
β	104.938 ± 0.003°
γ	117.541 ± 0.004°
Cell volume	3297.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
224692 (current)	2019-11-08	cif/ Updating files of 7058136, 7058137, 7058138, 7058139 Original log message: Adding full bibliography for 7058136--7058139.cif.	7058137.cif
213451	2019-02-03	cif/ Adding structures of 7058136, 7058137, 7058138, 7058139 via cif-deposit CGI script.	7058137.cif