Crystallography Open Database

Information card for entry 7057232

Preview

Coordinates	7057232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H66 Dy N4 O6
Calculated formula	C47 H66 Dy N4 O6
Title of publication	Single-ion magnets with D4d symmetry based on electron-donating β-diketonate Dy(iii) complexes
Authors of publication	Yao, Xu; Yan, Pengfei; An, Guanghui; Shi, Chao; Li, Yuxin; Li, Guangming
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8438
a	10.955 ± 0.005 Å
b	12.357 ± 0.005 Å
c	19.88 ± 0.005 Å
α	101.826 ± 0.005°
β	92.723 ± 0.005°
γ	110.819 ± 0.005°
Cell volume	2440.7 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230533 (current)	2019-11-17	cif/ Updating files of 7057229, 7057230, 7057231, 7057232 Original log message: Adding full bibliography for 7057229--7057232.cif.	7057232.cif
207189	2018-03-30	cif/ Adding structures of 7057229, 7057230, 7057231, 7057232 via cif-deposit CGI script.	7057232.cif