Crystallography Open Database

Information card for entry 7241694

Preview

Coordinates	7241694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 N9 O18 Tb2
Calculated formula	C30 H27 N9 O18 Tb2
Title of publication	Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties
Authors of publication	Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	65
Pages of publication	39771 - 39778
a	9.9419 ± 0.0006 Å
b	13.1775 ± 0.0008 Å
c	14.3215 ± 0.0009 Å
α	81.79 ± 0.0009°
β	74.0669 ± 0.0009°
γ	83.0217 ± 0.001°
Cell volume	1778.99 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259594 (current)	2020-12-06	cif/ Adding structures of 7241693, 7241694 via cif-deposit CGI script.	7241694.cif