Crystallography Open Database

Information card for entry 7713405

Preview

Coordinates	7713405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H84 B2 Cl6 Dy N7 O2
Calculated formula	C87 H80 B2 Cl2 Dy N7 O2
SMILES	[Dy]123456([n]7ccccc7C[N]6(Cc6[n]1cccc6)Cc1[n]5c(ccc1)C[N]3(Cc1[n]4cccc1)Cc1[n]2cccc1)Oc1ccc(OC)cc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Boosting mono-axial crystal field in stable high-coordinate Dy(III) single-ion magnets by substitution of phenoxy axial ligand
Authors of publication	Zhang, Ben; Zhou, Yang; Dong, Chang; Xiang, Yi; Shi, Yanbo; Zhang, Chennan; Yuan, Aihua; Zheng, Shaojun; Li, Zhaoyang; Zhang, Yi-Quan; Yang, Yong; Chen, Lei
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.155 ± 0.003 Å
b	14.354 ± 0.003 Å
c	24.759 ± 0.006 Å
α	106.34 ± 0.013°
β	90.908 ± 0.012°
γ	115.959 ± 0.011°
Cell volume	3981 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0415
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.0375
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
285004 (current)	2023-07-06	cif/ Adding structures of 7713405, 7713406 via cif-deposit CGI script.	7713405.cif