Crystallography Open Database

Information card for entry 4349727

Preview

Coordinates	4349727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H78 Dy2 N24 O10 S8
Calculated formula	C90 H78 Dy2 N24 O10 S8
Title of publication	[2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time
Authors of publication	Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	8
Pages of publication	1311
a	10.196 ± 0.003 Å
b	13.238 ± 0.004 Å
c	19.296 ± 0.006 Å
α	92.928 ± 0.009°
β	101.037 ± 0.009°
γ	110.598 ± 0.008°
Cell volume	2372.9 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
235770 (current)	2019-11-24	cif/ Adding structures of 4349726, 4349727 via cif-deposit CGI script.	4349727.cif