Crystallography Open Database

Information card for entry 1574420

Preview

Coordinates	1574420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C325 H377 Ag4 Cl32 Cu28 P8 S16
Calculated formula	C280 H272 Ag4 Cl32 Cu28 P8 S16
Title of publication	Atomically Precise Alloy AgCu Cuboid Nanocluster with Cubic Core: Gram Scale Synthesis, Total Structure, Electronic Structure, and Catalytic Performance
Authors of publication	Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen; Masood, Bilal; Haja Mohideen, Mohamed Infas; Abdelhady, Ahmed L.; Abu Haija, Mohammad; Mohamed, Sharmarke; Merinov, Boris; Goddard III, William A.; Qurashi, Ahsanulhaq
Journal of publication	Materials Horizons
Year of publication	2025
a	26.5679 ± 0.0003 Å
b	26.5679 ± 0.0003 Å
c	23.7512 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16764.9 ± 0.4 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	7
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2607
Weighted residual factors for all reflections included in the refinement	0.2919
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
299326 (current)	2025-04-18	cif/ Adding structures of 1574420 via cif-deposit CGI script.	1574420.cif