Crystallography Open Database

Information card for entry 7039608

Preview

Coordinates	7039608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H88 Cl2 Dy4 N50 Ni6 O31
Calculated formula	C66 H70 Cl2 Dy4 N48 Ni6 O28
Title of publication	A novel oxime-derived 3d-4f single-molecule magnet exhibiting two single-ion magnetic relaxations.
Authors of publication	Dong, Hui-Ming; Li, Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	29
Pages of publication	11876 - 11882
a	11.4709 ± 0.0007 Å
b	26.2839 ± 0.0016 Å
c	18.8993 ± 0.001 Å
α	90°
β	113.96 ± 0.003°
γ	90°
Cell volume	5207.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
185473 (current)	2016-08-07	cif/ Updating files of 7039608 Original log message: Adding full bibliography for 7039608.cif.	7039608.cif
183866	2016-06-23	cif/ Adding structures of 7039608 via cif-deposit CGI script.	7039608.cif