Crystallography Open Database

Information card for entry 1565060

Preview

Coordinates	1565060.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th-SINAP-202
Formula	C156 H96 N4 O37 Th6
Calculated formula	C156 H96 N4 O37 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	48.68 ± 0.03 Å
b	20.234 ± 0.011 Å
c	43.14 ± 0.02 Å
α	90°
β	109.987 ± 0.016°
γ	90°
Cell volume	39933 ± 4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2508
Residual factor for significantly intense reflections	0.2099
Weighted residual factors for significantly intense reflections	0.5158
Weighted residual factors for all reflections included in the refinement	0.5659
Goodness-of-fit parameter for all reflections included in the refinement	1.467
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.	1565060.cif