Crystallography Open Database

Information card for entry 1569623

Preview

Coordinates	1569623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H126 Cl4 In10 N20 S16
Calculated formula	Cl4 In10 S16
SMILES	S1[In]2(Cl)S[In]34S[In]5(Cl)S[In]67S[In]8(Cl)S[In]1([S]1[In]9([S]3[In]3([S]6[In]1(S[In](Cl)(S9)S3)S8)S5)S2)[S]47
Title of publication	Dispersible Supertetrahedral Chalcogenide T3 Clusters: Photocatalytic Activity and Photogenerated Carrier Dynamics
Authors of publication	Yin, Haiyan; Liu, Yifan; Ablez, Abdusalam; Wang, Yanqi; Hu, Qianqian; Huang, Xiaoying
Journal of publication	Catalysts
Year of publication	2023
Journal volume	13
Journal issue	8
Pages of publication	1160
a	74.59 ± 0.005 Å
b	74.59 ± 0.005 Å
c	74.59 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	414994 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
285540 (current)	2023-08-05	cif/ Adding structures of 1569623 via cif-deposit CGI script.	1569623.cif