Crystallography Open Database

Information card for entry 4131683

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Coordinates	4131683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C840 H1092 Au279 S83
Calculated formula	Au279 S84
Title of publication	Crystal Structure of Faradaurate-279: Au<sub>279</sub>(SPh-tBu)<sub>84</sub> Plasmonic Nanocrystal Molecules.
Authors of publication	Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G.; Dass, Amala
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	43
Pages of publication	15450 - 15459
a	35.924 ± 0.005 Å
b	95.717 ± 0.012 Å
c	36.659 ± 0.005 Å
α	90°
β	94.532 ± 0.008°
γ	90°
Cell volume	125659 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2513
Residual factor for significantly intense reflections	0.1372
Weighted residual factors for significantly intense reflections	0.3456
Weighted residual factors for all reflections included in the refinement	0.3968
Goodness-of-fit parameter for all reflections included in the refinement	1.743
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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