Crystallography Open Database

Information card for entry 4067897

Preview

Coordinates	4067897.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5b in manuscript
Formula	C14 H20 Au Cl N2 O2
Calculated formula	C14 H20 Au0.9999 Cl N2 O2
Title of publication	Efficient One-Pot Synthesis of Unsymmetrical Gold(I) N-Heterocyclic Carbene Complexes and Their Use as Catalysts
Authors of publication	Hashmi, A. Stephen K.; Yu, Yang; Rominger, Frank
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	895
a	10.811 ± 0.0009 Å
b	20.7384 ± 0.0018 Å
c	14.2736 ± 0.0012 Å
α	90°
β	99.331 ± 0.002°
γ	90°
Cell volume	3157.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0761
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
178569 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/78.	4067897.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067897.cif
38024	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067897 via cif-deposit CGI script.	4067897.cif