Crystallography Open Database

Information card for entry 1559119

Preview

Coordinates	1559119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Au F6 N2 P S2
Calculated formula	C15 H16 Au F6 N2 P S2
SMILES	[Au]12([S]=C(S1)N(C)C)[n]1c(Cc3c2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates
Authors of publication	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.
Journal of publication	Chemical Science
Year of publication	2020
a	7.7242 ± 0.0002 Å
b	11.1154 ± 0.0002 Å
c	21.8365 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1874.83 ± 0.07 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0123
Residual factor for significantly intense reflections	0.0117
Weighted residual factors for significantly intense reflections	0.0246
Weighted residual factors for all reflections included in the refinement	0.0248
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256553 (current)	2020-09-19	cif/ Adding structures of 1559119, 1559120, 1559121, 1559122, 1559123 via cif-deposit CGI script.	1559119.cif