Crystallography Open Database

Information card for entry 7218834

Preview

Coordinates	7218834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Ag Cl N3
Calculated formula	C13 H11 Ag Cl N3
SMILES	[Ag](Cl)=C1N(c2ccccn2)C(=C2N1C=CC=C2)C
Title of publication	Cytotoxicity of silver(i), gold(i) and gold(iii) complexes of a pyridine wingtip substituted annelated N-heterocyclic carbene
Authors of publication	Dinda, Joydev; Nandy, Abhishek; Rana, Bidyut Kumar; Bertolasi, Valerio; Saha, Krishna Das; Bielawski, Christopher W.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	105
Pages of publication	60776
a	7.46 ± 0.003 Å
b	9.046 ± 0.004 Å
c	9.952 ± 0.004 Å
α	83.312 ± 0.005°
β	72.451 ± 0.008°
γ	87.187 ± 0.008°
Cell volume	635.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0291
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7218834.cif
180519	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218834.cif
127564	2014-11-20	cif/ Adding structures of 7218834 via cif-deposit CGI script.	7218834.cif