Crystallography Open Database

Information card for entry 7055539

Preview

Coordinates	7055539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 Au F6 N7 P
Calculated formula	C28 H25 Au F6 N7 P
SMILES	[Au](=C1N2C(C=CC=C2)=CN1c1nc(C)ccc1)=C1N2C(=CN1c1nc(ccc1)C)C=CC=C2.[P](F)(F)(F)(F)(F)[F-].C(#N)C
Title of publication	Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells
Authors of publication	Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6289
a	7.6118 ± 0.001 Å
b	19.781 ± 0.003 Å
c	18.635 ± 0.002 Å
α	90°
β	90.601 ± 0.003°
γ	90°
Cell volume	2805.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
185595 (current)	2016-08-07	cif/ Updating files of 7055538, 7055539, 7055540 Original log message: Adding full bibliography for 7055538--7055540.cif.	7055539.cif
182809	2016-05-06	cif/ Adding structures of 7055538, 7055539, 7055540 via cif-deposit CGI script.	7055539.cif