Crystallography Open Database

Information card for entry 7113034

Preview

Coordinates	7113034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Au Cl2 F3 N3 O3 P S
Calculated formula	C32 H28 Au Cl2 F3 N3 O3 P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cn2[n+](c1C)CC(=N2)c1ccccc1.ClCCl.S(=O)(=O)(C(F)(F)F)[O-]
Title of publication	Synthesis and characterization of organogold complexes containing an acid stable Au-C bond through triazole-yne 5-endo-dig cyclization.
Authors of publication	Chen, Yunfeng; Wang, Dawei; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	33
Pages of publication	6147 - 6149
a	9.0504 ± 0.0007 Å
b	20.3438 ± 0.0016 Å
c	18.8056 ± 0.0014 Å
α	90°
β	102.805 ± 0.002°
γ	90°
Cell volume	3376.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
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	0.0478
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113034.cif
112216	2014-04-30	cif/ Adding structures of 7113034, 7113035 via cif-deposit CGI script.	7113034.cif