Crystallography Open Database

Information card for entry 7039341

Preview

Coordinates	7039341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H78 Cl Dy N8 Ni2 O17.5
Calculated formula	C65 H78 Cl Dy N8 Ni2 O17.654
Title of publication	Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.
Authors of publication	Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10689 - 10695
a	13.256 ± 0.006 Å
b	15.998 ± 0.007 Å
c	17.783 ± 0.008 Å
α	71.046 ± 0.007°
β	88.592 ± 0.007°
γ	68.988 ± 0.006°
Cell volume	3312 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
185351 (current)	2016-08-07	cif/ Updating files of 7039341, 7039342, 7039343, 7039344 Original log message: Adding full bibliography for 7039341--7039344.cif.	7039341.cif
183138	2016-05-28	cif/ Adding structures of 7039341, 7039342, 7039343, 7039344 via cif-deposit CGI script.	7039341.cif