Crystallography Open Database

Information card for entry 4064470

Preview

Coordinates	4064470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Au2 Cl2 N4 O2
Calculated formula	C14 H18 Au2 Cl2 N4 O2
Title of publication	Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands
Authors of publication	Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	9
Pages of publication	2553
a	8.3312 ± 0.0003 Å
b	12.603 ± 0.0004 Å
c	9.4992 ± 0.0004 Å
α	90°
β	114.071 ± 0.002°
γ	90°
Cell volume	910.67 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178538 (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 4/06/44.	4064470.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064470.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064470.cif
32917	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064467, 4064468, 4064469, 4064470 via cif-deposit CGI script.	4064470.cif