Crystallography Open Database

Information card for entry 7061026

Preview

Coordinates	7061026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Dy N13 O5 S3
Calculated formula	C26 H20 Dy N13 O3 S3
SMILES	[Dy]1234([N](=Cc5[n]2cccc5)N=C(O1)c1cnccn1)(OC(=N[N]3=Cc1[n]4cccc1)c1nccnc1)(N=C=S)(N=C=S)N=C=S.OC
Title of publication	A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation
Authors of publication	Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	46
Pages of publication	21708 - 21715
a	13.7368 ± 0.0005 Å
b	17.5335 ± 0.0007 Å
c	31.0162 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7470.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	0.626
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
271194 (current)	2021-12-07	cif/ Updating files of 7061026 Original log message: Adding full bibliography for 7061026.cif.	7061026.cif
270131	2021-10-29	cif/ Adding structures of 7061026 via cif-deposit CGI script.	7061026.cif