Crystallography Open Database

Information card for entry 1572713

Preview

Coordinates	1572713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H53 Dy N2 O6
Calculated formula	C49 H53 Dy N2 O6
Title of publication	Enhancing the single-molecule magnetic performance of β-diketonate Dy(III) complexes by modulating the coordination microenvironment and magnetic interaction: from a mononuclear to a dinuclear structure.
Authors of publication	Wang, Yafu; Zeng, Zhaopeng; Luo, Shuchang; Guo, Yan; Liu, Xiangyu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	42
Pages of publication	17272 - 17280
a	12.379 ± 0.0007 Å
b	12.379 ± 0.0007 Å
c	51.501 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	6834.7 ± 0.8 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	5
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
296529 (current)	2024-12-06	cif/ Updating files of 1572711, 1572712, 1572713 Original log message: Adding full bibliography for 1572711--1572713.cif.	1572713.cif
294930	2024-09-28	cif/ Adding structures of 1572711, 1572712, 1572713 via cif-deposit CGI script.	1572713.cif