Crystallography Open Database

Information card for entry 7033725

Preview

Coordinates	7033725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H22 F18 N4 O9 Yb2
Calculated formula	C45 H22 F18 N4 O9 Yb2
Title of publication	Employment of triketones to construct a dysprosium(iii) single-molecule magnet.
Authors of publication	Wang, Chao; Lin, Shuang-Yan; Wu, Jianfeng; Yuan, Sen-Wen; Tang, Jinkui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	10
Pages of publication	4648 - 4654
a	12.0714 ± 0.0006 Å
b	29.16 ± 0.0014 Å
c	13.3336 ± 0.0007 Å
α	90°
β	92.248 ± 0.001°
γ	90°
Cell volume	4689.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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