Crystallography Open Database

Information card for entry 7052859

Preview

Coordinates	7052859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Au Cl N3
Calculated formula	C14 H13 Au Cl N3
SMILES	[Au](Cl)=C1N(Cc2ncccc2)c2c(N1C)cccc2
Title of publication	Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies
Authors of publication	Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	759
a	7.5072 ± 0.0014 Å
b	9.1676 ± 0.0017 Å
c	10.705 ± 0.002 Å
α	79.845 ± 0.004°
β	84.056 ± 0.004°
γ	72.958 ± 0.003°
Cell volume	692.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
180082 (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 7/05/28.	7052859.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052859.cif
37721	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052859, 7052860 via cif-deposit CGI script.	7052859.cif