Crystallography Open Database

Information card for entry 7127328

Preview

Coordinates	7127328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H75 Au5 Cl2 P3 Ru2 S0
Calculated formula	C74 H75 Au5 Cl2 P3 Ru2
SMILES	[Au]123([Au]45([Au]67([Au]89([Au]%101([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ru]1%11%12%132468([c]2([c]%13(C)[c]%12(C)[c]%11(C)[c]12C)C)[Ru]12463579%10[c]3([c]1(C)[c]2(C)[c]4([c]63C)C)C)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Ligand-protected Au<sub>4</sub>Ru<sub>2</sub> and Au<sub>5</sub>Ru<sub>2</sub> nanoclusters: distinct structures and implications for site-cooperation catalysis.
Authors of publication	Sun, Yongnan; Yang, Dan; Zhang, Yuying; Hu, Weigang; Cheng, Xinglian; Liu, Xu; Chen, Mingyang; Zhu, Yan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12833 - 12836
a	13.98 ± 0.003 Å
b	16.129 ± 0.003 Å
c	17.64 ± 0.004 Å
α	112.192 ± 0.007°
β	90.973 ± 0.007°
γ	92.718 ± 0.006°
Cell volume	3676.1 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0314
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
260698 (current)	2021-01-07	cif/ Updating files of 7127328 Original log message: Adding full bibliography for 7127328.cif.	7127328.cif
256689	2020-09-24	cif/ Adding structures of 7127328 via cif-deposit CGI script.	7127328.cif