Crystallography Open Database

Information card for entry 7053104

Preview

Coordinates	7053104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Au Cl3 N3
Calculated formula	C22 H19 Au Cl3 N3
SMILES	[Au](Cl)(Cl)(Cl)=C1N(c2c(cccc2)N1C)CCn1c2ccccc2c2ccccc12
Title of publication	Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC
Authors of publication	Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	431
a	7.6394 ± 0.0009 Å
b	15.8473 ± 0.0018 Å
c	8.8524 ± 0.0011 Å
α	90°
β	95.036 ± 0.003°
γ	90°
Cell volume	1067.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.028
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180085 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/31.	7053104.cif
90095	2013-11-17	cif/ Adding structures of 7053102, 7053103, 7053104 via cif-deposit CGI script.	7053104.cif