Crystallography Open Database

Information card for entry 7249091

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Coordinates	7249091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H21 F9 Gd N2 O6
Calculated formula	C34 H21 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	9.8261 ± 0.001 Å
b	11.0676 ± 0.0011 Å
c	17.1496 ± 0.0018 Å
α	71.781 ± 0.002°
β	80.509 ± 0.002°
γ	84.683 ± 0.002°
Cell volume	1745.6 ± 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	0.0653
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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