Crystallography Open Database

Information card for entry 1573256

Preview

Coordinates	1573256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C760 H564 Cd16 N96 O16
Calculated formula	C760 H564 Cd16 N96 O16
Title of publication	Dynamic selection in metallo-organic cube Cd<sup>II</sup> <sub>8</sub>L<sub>4</sub> conformations induced by perfluorooctanoate encapsulation.
Authors of publication	Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yu-Ming; Zhang, Zhe; Wu, Tun; Wang, Pingshan
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	364 - 370
a	28.333 ± 0.003 Å
b	43.635 ± 0.004 Å
c	40.669 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	50280 ± 9 Å³
Cell temperature	101 K
Ambient diffraction temperature	101 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1581
Residual factor for significantly intense reflections	0.1346
Weighted residual factors for significantly intense reflections	0.3925
Weighted residual factors for all reflections included in the refinement	0.4217
Goodness-of-fit parameter for all reflections included in the refinement	1.826
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298101 (current)	2025-03-04	cif/ Updating files of 1573256 Original log message: Adding full bibliography for 1573256.cif.	1573256.cif
296073	2024-11-23	cif/ Adding structures of 1573256 via cif-deposit CGI script.	1573256.cif