Crystallography Open Database

Information card for entry 4065647

Preview

Coordinates	4065647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Au Cl N2 O4
Calculated formula	C14 H14 Au Cl N2 O4
Title of publication	Intramolecular C(sp2)−H Bond Activation in 6,6′-Dimethoxy-2,2′-Bipyridine with Gold(III). Crystal and Molecular Structure of the First N′,C(3) “Rollover” Cycloaurated Derivative
Authors of publication	Cocco, Fabio; Cinellu, Maria A.; Minghetti, Giovanni; Zucca, Antonio; Stoccoro, Sergio; Maiore, Laura; Manassero, Mario
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	5
Pages of publication	1064
a	7.1495 ± 0.0006 Å
b	18.0815 ± 0.0014 Å
c	12.6678 ± 0.001 Å
α	90°
β	96.71 ± 0.001°
γ	90°
Cell volume	1626.4 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.089
Goodness-of-fit parameter for all reflections	1.023
Goodness-of-fit parameter for significantly intense reflections	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178549 (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 4/06/56.	4065647.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065647.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065647.cif
33642	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065647 via cif-deposit CGI script.	4065647.cif