Crystallography Open Database

Information card for entry 1565061

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Coordinates	1565061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C312 H192 N8 O72 Th12
Calculated formula	C312 H192 N8 O72 Th12
Title of publication	A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition
Authors of publication	Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian
Journal of publication	Chemical Science
Year of publication	2021
a	24.163 ± 0.009 Å
b	26.423 ± 0.009 Å
c	36.034 ± 0.013 Å
α	93.359 ± 0.01°
β	92.771 ± 0.011°
γ	90.421 ± 0.009°
Cell volume	22939 ± 14 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.3032
Residual factor for significantly intense reflections	0.1935
Weighted residual factors for significantly intense reflections	0.4924
Weighted residual factors for all reflections included in the refinement	0.5742
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
270108 (current)	2021-10-29	cif/ Adding structures of 1565058, 1565059, 1565060, 1565061 via cif-deposit CGI script.	1565061.cif