Crystallography Open Database

Information card for entry 7120897

7120896 << 7120897 >> 7120898

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Coordinates	7120897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H180 Au70 P12 S20
Calculated formula	C216 H180 Au70 P12 S20
Title of publication	Au70S20(PPh3)12: An intermediate sized metalloid gold cluster stabilized by the Au4S4 ring motif and Au-PPh3 groups
Authors of publication	Schnepf, Andreas; Schrenk, Claudio; Häkkinen, Hannu; Frojd, Andrew R.; Kenzler, Sebastian Ignaz Joachim; Clayborne, Andre
Journal of publication	Chemical Communications
Year of publication	2017
a	40.2486 ± 0.0011 Å
b	40.2486 ± 0.0011 Å
c	95.357 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	133778 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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