Crystallography Open Database

Information card for entry 1565058

Preview

Coordinates	1565058.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th-SINAP-200
Formula	C161 H105 N5 O40 Th6
Calculated formula	C161 H105 N5 O40 Th6
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	24.6432 ± 0.0012 Å
b	25.1083 ± 0.0012 Å
c	25.5393 ± 0.0013 Å
α	117.118 ± 0.002°
β	114.422 ± 0.002°
γ	91.982 ± 0.002°
Cell volume	12312.2 ± 1.1 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	0.108
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1565058.cif