Crystallography Open Database

Information card for entry 4349726

Preview

Coordinates	4349726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Dy N12 O5 S4
Calculated formula	C45 H39 Dy N12 O5 S4
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	10.4132 ± 0.0007 Å
b	12.4976 ± 0.0007 Å
c	19.8741 ± 0.0012 Å
α	92.846 ± 0.002°
β	98.463 ± 0.002°
γ	109.273 ± 0.002°
Cell volume	2401.5 ± 0.3 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	0.0481
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4349726.cif