Crystallography Open Database

Information card for entry 1573745

Preview

Coordinates	1573745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H90.68 Ag2 N O11 S8 Ti2
Calculated formula	C80 H87.678 Ag2 O11 S8 Ti2
Title of publication	Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
Authors of publication	Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	16
Pages of publication	6845 - 6852
a	16.0181 ± 0.0003 Å
b	18.7809 ± 0.0003 Å
c	30.2892 ± 0.0005 Å
α	90°
β	92.8776 ± 0.0015°
γ	90°
Cell volume	9100.5 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2424
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300613 (current)	2025-07-06	cif/ Updating files of 1573744, 1573745, 1573746, 1573747 Original log message: Adding full bibliography for 1573744--1573747.cif.	1573745.cif
297426	2025-01-23	cif/ Adding structures of 1573744, 1573745, 1573746, 1573747 via cif-deposit CGI script.	1573745.cif