Crystallography Open Database

Information card for entry 7053103

Preview

Coordinates	7053103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Au F6 N8 P
Calculated formula	C54 H44 Au F6 N8 P
SMILES	[P](F)(F)(F)(F)(F)[F-].[Au](=C1N(c2ccccc2N1CCn1c2ccccc2c2ccccc12)Cc1ncccc1)=C1N(c2ccccc2N1CCn1c2ccccc2c2ccccc12)Cc1ncccc1
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	10.107 ± 0.002 Å
b	11.469 ± 0.001 Å
c	12.087 ± 0.002 Å
α	113.244 ± 0.001°
β	100.451 ± 0.003°
γ	106.521 ± 0.001°
Cell volume	1163.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	7053103.cif
90095	2013-11-17	cif/ Adding structures of 7053102, 7053103, 7053104 via cif-deposit CGI script.	7053103.cif