Crystallography Open Database

Information card for entry 1564060

Preview

Coordinates	1564060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 F18 N3 O9 Tb
Calculated formula	C28 H21 F18 N3 O9 Tb
Title of publication	Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties
Authors of publication	Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119867
a	12.563 ± 0.0007 Å
b	18.4708 ± 0.001 Å
c	16.761 ± 0.0009 Å
α	90°
β	95.802 ± 0.001°
γ	90°
Cell volume	3869.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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