Crystallography Open Database

Information card for entry 4066525

Preview

Coordinates	4066525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 Au Cl N2
Calculated formula	C19 H21 Au Cl N2
SMILES	[Au](Cl)=C1N(CCN1[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
Title of publication	Preparation and Characterization of Two New N-Heterocyclic Carbene Gold(I) Complexes and Comparison of Their Catalytic Activity to Au(IPr)Cl
Authors of publication	Gung, Benjamin W.; Bailey, Lauren N.; Craft, Derek T.; Barnes, Charles L.; Kirschbaum, Kristin
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	15
Pages of publication	3450
a	9.8671 ± 0.0016 Å
b	8.2509 ± 0.0012 Å
c	12.0106 ± 0.0017 Å
α	90°
β	109.031 ± 0.003°
γ	90°
Cell volume	924.4 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178557 (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 4/06/65.	4066525.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066525.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066525.cif
33917	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066525, 4066526 via cif-deposit CGI script.	4066525.cif