Crystallography Open Database

Information card for entry 7060987

Preview

Coordinates	7060987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2
Calculated formula	C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2
Title of publication	Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical
Authors of publication	Liu, Cai-Ming; Hao, Xiang
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19868 - 19875
a	11.5601 ± 0.0002 Å
b	14.837 ± 0.0003 Å
c	20.0015 ± 0.0005 Å
α	89.624 ± 0.002°
β	80.033 ± 0.002°
γ	79.843 ± 0.002°
Cell volume	3324.86 ± 0.13 Å³
Cell temperature	169.9 ± 0.5 K
Ambient diffraction temperature	169.9 ± 0.5 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1646
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
270479 (current)	2021-11-06	cif/ Updating files of 7060986, 7060987 Original log message: Adding full bibliography for 7060986--7060987.cif.	7060987.cif
269417	2021-10-01	cif/ Adding structures of 7060986, 7060987 via cif-deposit CGI script.	7060987.cif