Crystallography Open Database

Information card for entry 7236911

Preview

Coordinates	7236911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 N4 O50 Pr4
Calculated formula	C60 H40 N4 O40 Pr4
Title of publication	Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties
Authors of publication	Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	267 - 274
a	23.2883 ± 0.0016 Å
b	23.2883 ± 0.0016 Å
c	14.1304 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6636.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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