Crystallography Open Database

Information card for entry 7049651

Preview

Coordinates	7049651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 Dy2 O29
Calculated formula	C60 H52 Dy2 O29
Title of publication	Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure, magnetic properties and theoretical elucidation.
Authors of publication	Chen, Zilu; Yu, Shui; Wang, Rongdong; Li, Bo; Yin, Bing; Liu, Dongcheng; Liang, Yuning; Yao, Di; Liang, Fupei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6627 - 6637
a	14.3574 ± 0.0002 Å
b	15.1347 ± 0.0003 Å
c	16.6249 ± 0.0003 Å
α	115.844 ± 0.002°
β	101.132 ± 0.002°
γ	99.474 ± 0.002°
Cell volume	3060.83 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
224170 (current)	2019-11-08	cif/ Updating files of 7049649, 7049650, 7049651 Original log message: Adding full bibliography for 7049649--7049651.cif.	7049651.cif
214595	2019-04-11	cif/ Adding structures of 7049649, 7049650, 7049651 via cif-deposit CGI script.	7049651.cif