Crystallography Open Database

Information card for entry 7242161

Preview

Coordinates	7242161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl3 N2 O5 Tb
Calculated formula	C28 H24 Cl3 N2 O5 Tb
SMILES	[Tb]123(Cl)(Cl)(Cl)[O](c4cccc(c4O1)C=[NH+]c1c(Oc4c([NH+]=Cc5c(O3)c([O]2C)ccc5)cccc4)cccc1)C
Title of publication	A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand
Authors of publication	Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	8
Pages of publication	1718 - 1722
a	8.1546 ± 0.0005 Å
b	12.2361 ± 0.0007 Å
c	14.7108 ± 0.0008 Å
α	101.392 ± 0.002°
β	90.257 ± 0.002°
γ	98.318 ± 0.002°
Cell volume	1422.97 ± 0.14 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.12 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	0.0479
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
262557 (current)	2021-03-05	cif/ Updating files of 7242160, 7242161 Original log message: Adding full bibliography for 7242160--7242161.cif.	7242161.cif
261165	2021-01-23	cif/ Adding structures of 7242160, 7242161 via cif-deposit CGI script.	7242161.cif