Crystallography Open Database

Information card for entry 7021926

7021925 << 7021926 >> 7021927

Preview

Coordinates	7021926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Au Cl N4
Calculated formula	C22 H18 Au Cl N4
SMILES	[Au](Cl)=C1N(c2ccc(N=Nc3ccccc3)cc2)C=CN1Cc1ccccc1
Title of publication	Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.
Authors of publication	Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14749 - 14756
a	12.734 ± 0.003 Å
b	13.625 ± 0.002 Å
c	12.379 ± 0.003 Å
α	90°
β	111.712 ± 0.007°
γ	90°
Cell volume	1995.4 ± 0.7 Å³
Cell temperature	205 ± 2 K
Ambient diffraction temperature	205 ± 2 K
Number of distinct elements	5
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	0.0618
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179924 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021926.cif
88876	2013-10-09	cif/ Adding structures of 7021923, 7021924, 7021925, 7021926 via cif-deposit CGI script.	7021926.cif