Crystallography Open Database

Information card for entry 7708887

Preview

Coordinates	7708887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Br Dy N4 O4
Calculated formula	C30 H32 Br Dy N4 O4
SMILES	[Dy]12345([n]6c(cccc6)C[N]4(Cc4cccc(OC)c4O3)CC[N]5(Cc3c(O2)c(ccc3)OC)Cc2[n]1cccc2)Br
Title of publication	Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.
Authors of publication	Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	8.5766 ± 0.0007 Å
b	18.0373 ± 0.0014 Å
c	18.8912 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2922.4 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0475
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
270757 (current)	2021-11-19	cif/ Adding structures of 7708882, 7708883, 7708884, 7708885, 7708886, 7708887 via cif-deposit CGI script.	7708887.cif