Crystallography Open Database

Information card for entry 7058139

Preview

Coordinates	7058139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H84 Cl N6 O10 Tb Zn2
Calculated formula	C66 H84 Cl N6 O10 Tb Zn2
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	13.1186 ± 0.0016 Å
b	14.117 ± 0.0017 Å
c	20.85 ± 0.003 Å
α	90.79 ± 0.003°
β	105.005 ± 0.002°
γ	117.267 ± 0.002°
Cell volume	3275.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1478
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7058139.cif
213451	2019-02-03	cif/ Adding structures of 7058136, 7058137, 7058138, 7058139 via cif-deposit CGI script.	7058139.cif