Crystallography Open Database

Information card for entry 7021923

7021922 << 7021923 >> 7021924

Preview

Coordinates	7021923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Au Cl N4
Calculated formula	C17 H16 Au Cl N4
SMILES	[Au](Cl)=C1N(C=CN1Cc1ccc(N=Nc2ccccc2)cc1)C
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	5.76 ± 0.0008 Å
b	7.9251 ± 0.0009 Å
c	37.318 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1703.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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.	7021923.cif
88876	2013-10-09	cif/ Adding structures of 7021923, 7021924, 7021925, 7021926 via cif-deposit CGI script.	7021923.cif