Crystallography Open Database

Information card for entry 4079849

Preview

Coordinates	4079849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Au Cl3 N2
Calculated formula	C20 H22 Au Cl3 N2
Title of publication	Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes
Authors of publication	Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	164
a	9.4462 ± 0.0019 Å
b	9.778 ± 0.002 Å
c	12.372 ± 0.003 Å
α	86.645 ± 0.011°
β	69.053 ± 0.009°
γ	76.21 ± 0.009°
Cell volume	1036 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0403
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178687 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/98.	4079849.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079849.cif
74083	2013-02-21	cif/ Adding structures of 4079849, 4079850, 4079851, 4079852, 4079853 via cif-deposit CGI script.	4079849.cif