Crystallography Open Database

Information card for entry 7249092

Preview

Coordinates	7249092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 F18 Gd2 N4 O12
Calculated formula	C38 H30 F18 Gd2 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	12.6945 ± 0.0007 Å
b	13.147 ± 0.0007 Å
c	16.7459 ± 0.0007 Å
α	90°
β	113.398 ± 0.003°
γ	90°
Cell volume	2565 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71067 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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