Crystallography Open Database

Information card for entry 4128811

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Coordinates	4128811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H178 Au24 Pt S18
Calculated formula	C158 H178 Au24 Pt S18
Title of publication	Stoichiometric Formation of Open-Shell [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>-</sup> via Spontaneous Electron Proportionation between [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>2-</sup> and [PtAu<sub>24</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>18</sub>]<sup>0</sup>.
Authors of publication	Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	36
Pages of publication	14048 - 14051
a	16.134 ± 0.002 Å
b	17.69 ± 0.002 Å
c	17.7811 ± 0.0018 Å
α	65.139 ± 0.006°
β	64.59 ± 0.007°
γ	81.463 ± 0.009°
Cell volume	4156 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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