Crystallography Open Database

Information card for entry 7249089

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Coordinates	7249089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Dy F9 N2 O6
Calculated formula	C27 H24 Dy F9 N2 O6
Title of publication	Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand
Authors of publication	Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	34
Pages of publication	4657 - 4668
a	11.816 ± 0.0014 Å
b	12.1181 ± 0.0014 Å
c	13.2915 ± 0.0015 Å
α	90.396 ± 0.001°
β	106.009 ± 0.001°
γ	116.348 ± 0.001°
Cell volume	1620.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0387
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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