Crystallography Open Database

Information card for entry 7246973

Preview

Coordinates	7246973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C228 H234 Ag10 Cu16 F24 O19 P4 S16
Calculated formula	C216 H204 Ag10 Cu16 F24 O16 P4 S16
Title of publication	Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis.
Authors of publication	Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	27
Pages of publication	17901 - 17906
a	18.3848 ± 0.0002 Å
b	34.2944 ± 0.0004 Å
c	18.6956 ± 0.0002 Å
α	90°
β	96.282 ± 0.001°
γ	90°
Cell volume	11716.7 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0986
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2456
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
285531 (current)	2023-08-05	cif/ Updating files of 7246973 Original log message: Adding full bibliography for 7246973.cif.	7246973.cif
284767	2023-07-04	cif/ Adding structures of 7246973 via cif-deposit CGI script.	7246973.cif