Crystallography Open Database

Information card for entry 7249088

Preview

Coordinates	7249088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H46 F9 Gd N2 O6
Calculated formula	C49 H46 F9 Gd 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	15.7398 ± 0.0008 Å
b	17.6702 ± 0.0008 Å
c	18.6995 ± 0.0009 Å
α	90°
β	106.605 ± 0.001°
γ	90°
Cell volume	4983.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0394
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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