Crystallography Open Database

Information card for entry 7117068

Preview

Coordinates	7117068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 Au N2 S
Calculated formula	C32 H47 Au N2 S
SMILES	[Au](S/C=C\CCCCCCCC)=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C
Title of publication	Stereoselective synthesis and reaction of gold(I) (Z)-enethiolates
Authors of publication	Kazunori Miyamoto; Masaya Hirobe; Masanobu Uchiyama; Masahito Ochiai
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7962
a	9.6005 ± 0.0004 Å
b	11.3245 ± 0.0005 Å
c	15.2126 ± 0.0007 Å
α	74.9336 ± 0.0014°
β	82.8296 ± 0.0013°
γ	77.8418 ± 0.0013°
Cell volume	1556.94 ± 0.12 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0251
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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