Crystallography Open Database

Information card for entry 4128333

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Coordinates	4128333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H198 Au24 Pd S18 Si18
Calculated formula	C72 H198 Au24 Pd S18 Si18
Title of publication	Efficient and Selective Conversion of Phosphine-Protected (MAu<sub>8</sub>)<sup>2+</sup> (M = Pd, Pt) Superatoms to Thiolate-Protected (MAu<sub>12</sub>)<sup>6+</sup> or Alkynyl-Protected (MAu<sub>12</sub>)<sup>4+</sup> Superatoms via Hydride Doping.
Authors of publication	Takano, Shinjiro; Ito, Shun; Tsukuda, Tatsuya
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	15994 - 16002
a	16.8731 ± 0.0004 Å
b	16.9117 ± 0.0004 Å
c	17.0006 ± 0.0004 Å
α	103.768 ± 0.002°
β	112.008 ± 0.002°
γ	107.269 ± 0.002°
Cell volume	3946.7 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221456 (current)	2019-11-03	cif/ Adding structures of 4128333 via cif-deposit CGI script.	4128333.cif