Crystallography Open Database

Information card for entry 7246420

Preview

Coordinates	7246420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C228 H168 Ag17 Au10 Cl5 F36 P10 S6
Calculated formula	C228 H168 Ag17 Au10 Cl5 F36 P10 S6
Title of publication	Au<sub>10</sub>Ag<sub>17</sub>(TPP)<sub>10</sub>(SR)<sub>6</sub>Cl<sub>5</sub> nanocluster: structure, transformation and the origin of its photoluminescence.
Authors of publication	Ma, Along; Wang, Jiawei; Kong, Jie; Ren, Yonggang; Wang, Yuxuan; Ma, Xiaoshuang; Zhou, Meng; Wang, Shuxin
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	14
Pages of publication	9772 - 9778
a	25.8454 ± 0.0007 Å
b	30.9591 ± 0.0005 Å
c	33.6076 ± 0.001 Å
α	90°
β	100.869 ± 0.003°
γ	90°
Cell volume	26408.7 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	8
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	0.2127
Residual factor for significantly intense reflections	0.124
Weighted residual factors for significantly intense reflections	0.3274
Weighted residual factors for all reflections included in the refinement	0.3722
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
283506 (current)	2023-05-05	cif/ Updating files of 7246420 Original log message: Adding full bibliography for 7246420.cif.	7246420.cif
281796	2023-03-10	cif/ Adding structures of 7246420 via cif-deposit CGI script.	7246420.cif