Crystallography Open Database

Information card for entry 7058359

Preview

Coordinates	7058359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H71.396 Dy Ga4 N13 O21
Calculated formula	C96 H71.4 Dy Ga4 N13 O21
Title of publication	A mononuclear dysprosium(iii) single-molecule magnet with a non-planar metallacrown
Authors of publication	Jiang, Xiao-Feng; Chen, Ming-Guang; Tong, Jia-Ping; Shao, Feng
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	22
Pages of publication	8704
a	17.1258 ± 0.0003 Å
b	17.3229 ± 0.0003 Å
c	18.96 ± 0.0013 Å
α	103.853 ± 0.007°
β	107.388 ± 0.008°
γ	94.941 ± 0.007°
Cell volume	5135.6 ± 0.5 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 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	0.0805
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2383
Weighted residual factors for all reflections included in the refinement	0.2402
Goodness-of-fit parameter for all reflections included in the refinement	0.9828
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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