Crystallography Open Database

Information card for entry 4128330

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Coordinates	4128330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198 H270 Au24 Pt S18
Calculated formula	C198 H270 Au24 Pt S18
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	19.3124 ± 0.0009 Å
b	19.3602 ± 0.0007 Å
c	21.1823 ± 0.0011 Å
α	64.389 ± 0.004°
β	80.212 ± 0.004°
γ	62.406 ± 0.004°
Cell volume	6324.9 ± 0.6 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	0.1054
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2697
Weighted residual factors for all reflections included in the refinement	0.2813
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221453 (current)	2019-11-03	cif/ Adding structures of 4128330 via cif-deposit CGI script.	4128330.cif