Crystallography Open Database

Information card for entry 7033612

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Coordinates	7033612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H100 Er4 N12 O33.96
Calculated formula	C88 H100 Er4 N12 O33.96
Title of publication	A salen-type Dy4 single-molecule magnet with an enhanced energy barrier and its analogues.
Authors of publication	Luan, Fang; Yan, Pengfei; Zhu, Jing; Liu, Tianqi; Zou, Xiaoyan; Li, Guangming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	9
Pages of publication	4046 - 4053
a	14.4223 ± 0.0009 Å
b	14.5202 ± 0.0009 Å
c	14.6662 ± 0.0008 Å
α	111.232 ± 0.005°
β	104.018 ± 0.005°
γ	107.831 ± 0.005°
Cell volume	2500.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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