Crystallography Open Database

Information card for entry 7247427

Preview

Coordinates	7247427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H88 Fe4 N10 O32 Y2
Calculated formula	C34 H88 Fe4 N10 O32 Y2
Title of publication	Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets
Authors of publication	Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	42
Pages of publication	5893 - 5899
a	10.8225 ± 0.0003 Å
b	11.1813 ± 0.0003 Å
c	12.9331 ± 0.0004 Å
α	79.542 ± 0.003°
β	79.911 ± 0.002°
γ	75.815 ± 0.002°
Cell volume	1478.02 ± 0.08 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0792
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287337 (current)	2023-11-06	cif/ Updating files of 7247426, 7247427 Original log message: Adding full bibliography for 7247426--7247427.cif.	7247427.cif
286452	2023-09-22	cif/ Adding structures of 7247426, 7247427 via cif-deposit CGI script.	7247427.cif