Crystallography Open Database

Information card for entry 1577380

Preview

Coordinates	1577380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5
Calculated formula	C133 H104 Ag6 Au7 Cl0.97 N5 O3 P6 S5
Title of publication	Enhancing multiphoton absorption in atomically precise (AuAg)<sub>13</sub> clusters <i>via</i> 2-/4-mercaptopyridine ligand positional isomerism.
Authors of publication	Xu, Anqi; Wang, Ye; Hu, Daqiao; Li, Shengli; Xiong, Lin; Jin, Shan; Zhang, Qiong; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2026
Journal volume	18
Journal issue	20
Pages of publication	10671 - 10681
a	15.149 ± 0.003 Å
b	16.597 ± 0.003 Å
c	29.57 ± 0.006 Å
α	86.556 ± 0.016°
β	86.473 ± 0.016°
γ	88.139 ± 0.016°
Cell volume	7404 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.1051
Weighted residual factors for significantly intense reflections	0.2776
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306231 (current)	2026-06-05	cif/ Adding structures of 1577377, 1577378, 1577379, 1577380 via cif-deposit CGI script.	1577380.cif