Crystallography Open Database

Information card for entry 1565779

Preview

Coordinates	1565779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H186 Ag20 O27 P12 Pt S24
Calculated formula	C81 H186 Ag20 O27 P12 Pt S24
Title of publication	Alloying dichalcogenolate-protected Ag<sub>21</sub> eight-electron nanoclusters: a DFT investigation.
Authors of publication	Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves
Journal of publication	Nanoscale
Year of publication	2021
Journal volume	14
Journal issue	1
Pages of publication	196 - 203
a	22.7267 ± 0.0014 Å
b	22.7267 ± 0.0014 Å
c	27.59 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12341.1 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
272705 (current)	2022-02-04	cif/ Updating files of 1565779 Original log message: Adding full bibliography for 1565779.cif.	1565779.cif
271458	2021-12-16	cif/ Adding structures of 1565779 via cif-deposit CGI script.	1565779.cif