Crystallography Open Database

Information card for entry 7057231

Preview

Coordinates	7057231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H65 Dy N2 O6
Calculated formula	C45 H65 Dy N2 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	11.051 ± 0.005 Å
b	12.325 ± 0.005 Å
c	18.666 ± 0.005 Å
α	79.895 ± 0.005°
β	87.642 ± 0.005°
γ	68.779 ± 0.005°
Cell volume	2332.5 ± 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	0.0423
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7057231.cif
207189	2018-03-30	cif/ Adding structures of 7057229, 7057230, 7057231, 7057232 via cif-deposit CGI script.	7057231.cif