Crystallography Open Database

Information card for entry 1571586

Preview

Coordinates	1571586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H94 Ag6 Au9 Cl2 F60 P5
Calculated formula	C174 H94 Ag6 Au9 Cl2 F60 P5
Title of publication	[Au<sub>9</sub>Ag<sub>6</sub>(CCR)<sub>10</sub>(DPPM)<sub>2</sub>Cl<sub>2</sub>](PPh<sub>4</sub>): a four-electron cluster with a bi-decahedral twisted metal core.
Authors of publication	Deng, Guocheng; Ki, Taeyoung; Yoo, Seungwoo; Liu, Xiaolin; Lee, Kangjae; Bootharaju, Megalamane S.; Hyeon, Taeghwan
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	23
Pages of publication	11090 - 11095
a	19.1458 ± 0.0002 Å
b	22.7805 ± 0.0004 Å
c	23.8161 ± 0.0002 Å
α	91.223 ± 0.001°
β	94.258 ± 0.001°
γ	114.009 ± 0.001°
Cell volume	9447.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0924
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293181 (current)	2024-07-05	cif/ Updating files of 1571586 Original log message: Adding full bibliography for 1571586.cif.	1571586.cif
291765	2024-05-08	cif/ Adding structures of 1571586 via cif-deposit CGI script.	1571586.cif