Crystallography Open Database

Information card for entry 1573746

Preview

Coordinates	1573746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12
Calculated formula	C265.64 H306.46 Ag4.506 N12.82 O42.758 S24 Ti12
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	21.329 ± 0.003 Å
b	34.611 ± 0.005 Å
c	23.413 ± 0.005 Å
α	90°
β	116.73 ± 0.005°
γ	90°
Cell volume	15437 ± 5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1936
Weighted residual factors for all reflections included in the refinement	0.2185
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	1573746.cif
297426	2025-01-23	cif/ Adding structures of 1573744, 1573745, 1573746, 1573747 via cif-deposit CGI script.	1573746.cif