Crystallography Open Database

Information card for entry 7055538

Preview

Coordinates	7055538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Au Cl3 N3
Calculated formula	C13 H11 Au Cl3 N3
SMILES	[Au](Cl)(Cl)(=c1n(cc2n1cccc2)c1cccc(n1)C)Cl
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	7.8357 ± 0.0009 Å
b	9.7387 ± 0.0011 Å
c	11.0588 ± 0.0012 Å
α	115.506 ± 0.002°
β	92.671 ± 0.002°
γ	96.763 ± 0.002°
Cell volume	751.88 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0345
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7055538.cif
182809	2016-05-06	cif/ Adding structures of 7055538, 7055539, 7055540 via cif-deposit CGI script.	7055538.cif