Crystallography Open Database

Information card for entry 7249094

Preview

Coordinates	7249094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H42 Dy2 F18 N4 O12
Calculated formula	C68 H42 Dy2 F18 N4 O12
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	9.8524 ± 0.0015 Å
b	11.032 ± 0.0016 Å
c	17.118 ± 0.002 Å
α	71.671 ± 0.002°
β	80.346 ± 0.002°
γ	84.439 ± 0.002°
Cell volume	1739.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0316
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7249094.html