Crystallography Open Database

Information card for entry 7225534

Preview

Coordinates	7225534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Au Cl N4 O2
Calculated formula	C22 H32 Au Cl N4 O2
SMILES	[Au](=C1N(c2ccccc2N1CCC)C)=C1N(c2ccccc2N1CCC)C.[Cl-].O.O
Title of publication	Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation
Authors of publication	Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah
Journal of publication	RSC Adv.
Year of publication	2016
a	7.5995 ± 0.0008 Å
b	19.115 ± 0.002 Å
c	15.8809 ± 0.0018 Å
α	90°
β	95.73 ± 0.003°
γ	90°
Cell volume	2295.4 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 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	0.0845
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
183460 (current)	2016-06-14	cif/ Adding structures of 7225531, 7225532, 7225533, 7225534 via cif-deposit CGI script.	7225534.cif