Crystallography Open Database

Information card for entry 1573390

Preview

Coordinates	1573390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H216 Ag14 O24 P12 Pd6 S25
Calculated formula	C96 H216 Ag14 O24 P12 Pd6 S25
SMILES	C(C(C)C)OP1(OCC(C)C)[S]2[Ag]3456789[S]%10P(OCC(C)C)(OCC(C)C)=[S][Pd]%11%12%13%14%15%16%175[Ag]5%18%19%203%10[Ag]3%10%21%11[S]%11P(OCC(C)C)(OCC(C)C)=[S][Ag]%22%23%24%25%13[S]%13=P(OCC(C)C)(OCC(C)C)[S]%26[Ag]%27%28%12%10%11%22[Pd]%10%11%12%22%29%14%23%13[Pd]%13%14%23%30%31%324([S]=1)S14%15%10[Pd]%10%15%33%34%17%19%21%28[Ag]%17%19%21%28%35%36[Ag]%375%10([S]%18P(OCC(C)C)(=[S]3)OCC(C)C)[S]=P(OCC(C)C)(OCC(C)C)[S]%17[Ag]35%10%17%28[S]=P(OCC(C)C)(OCC(C)C)[S]%18[Ag]%28%38%39%14[S]=P(OCC(C)C)(OCC(C)C)[S]%14[Ag]%40%41%12%13%28([S]%12P(OCC(C)C)(OCC(C)C)=[S][Pd]%13%324%36%17%39%41([Ag]%26%27%11%33%21%40%12[S]%19P(OCC(C)C)(OCC(C)C)=[S]%15)[Ag]47%235%18%38[S]6=P(OCC(C)C)(OCC(C)C)[S]3[Pd]9%201%34%35%37%10%134)[Ag]1%29%31%14[Ag]28%16%24%22%30[S]%25P(OCC(C)C)(OCC(C)C)=[S]1
Title of publication	Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.
Authors of publication	Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	4
Pages of publication	1990 - 1996
a	15.605 ± 0.005 Å
b	18.06 ± 0.005 Å
c	18.102 ± 0.008 Å
α	119.776 ± 0.006°
β	93.951 ± 0.01°
γ	103.556 ± 0.007°
Cell volume	4200 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298971 (current)	2025-04-05	cif/ Updating files of 1573388, 1573389, 1573390 Original log message: Adding full bibliography for 1573388--1573390.cif.	1573390.cif
296223	2024-12-05	cif/ Adding structures of 1573388, 1573389, 1573390 via cif-deposit CGI script.	1573390.cif