Crystallography Open Database

Information card for entry 2021558

2021557 << 2021558 >> 2021559

Preview

Coordinates	2021558.cif
Structure factors	2021558.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) dichloridaurate(I) dichloromethane disolvate
Formula	C60 H56 Au2 Cl6 N4 O4
Calculated formula	C60 H56 Au2 Cl6 N4 O4
SMILES	[Au](=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Au](Cl)[Cl-].ClCCl.ClCCl
Title of publication	Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions
Authors of publication	Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	4
Pages of publication	462 - 468
a	11.9236 ± 0.0011 Å
b	15.1244 ± 0.0014 Å
c	18.4014 ± 0.0016 Å
α	100.46 ± 0.003°
β	105.164 ± 0.003°
γ	103.994 ± 0.003°
Cell volume	2999.8 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
214404 (current)	2019-03-28	cif/ hkl/ Adding structures of 2021557, 2021558 via cif-deposit CGI script.	2021558.cif 2021558.hkl