Crystallography Open Database

Information card for entry 4349887

Preview

Coordinates	4349887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H78 Au2 F12 P4 Pd6 S10
Calculated formula	C108 H78 Au2 F12 P4 Pd6 S10
SMILES	c1(ccccc1)[P](c1ccccc1)([Pd]123[S](c4ccc(c(F)c4)F)[Pd]42([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]2[Pd]534([S]1c1cc(F)c(cc1)F)[S]([Au]13[S]5[Au]42[S](c2cc(F)c(F)cc2)[Pd]256([S](c7cc(F)c(F)cc7)[Pd]76([P](c6ccccc6)(c6ccccc6)c6ccccc6)[S](c6ccc(F)c(F)c6)[Pd]57([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]12)[S]34)c1cc(F)c(cc1)F)c1ccccc1
Title of publication	Design of atomically precise Au2Pd6 nanoclusters for boosting electrocatalytic hydrogen evolution on MoS2
Authors of publication	Du, Yuanxin; Xiang, Ji; Ni, Kun; Yun, Yapei; Sun, Guodong; Yuan, Xiaoyou; Sheng, Hongting; Zhu, Yanwu; Zhu, Manzhou
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	11
Pages of publication	2948
a	13.5057 ± 0.0013 Å
b	14.3267 ± 0.0014 Å
c	15.4396 ± 0.0015 Å
α	114.74 ± 0.001°
β	99.624 ± 0.001°
γ	103.165 ± 0.002°
Cell volume	2522.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0646
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236923 (current)	2019-11-24	cif/ Adding structures of 4349887 via cif-deposit CGI script.	4349887.cif