Crystallography Open Database

Information card for entry 1512879

Preview

Coordinates	1512879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Ag N2 O2
Calculated formula	C33 H31 Ag N2 O2
SMILES	[Ag](=C1N(Cc2ccccc2)C(c2ccc(C)cc2)=C(c2ccc(C)cc2)N1Cc1ccccc1)OC(=O)C
Title of publication	Synthesis and biological evaluation of <i>N</i>-heterocyclic carbene-silver(I) acetate complexes derived from 4,5-ditolyl-imidazole
Authors of publication	Frauke Hackenberg; Grainne Lally; Helge Müller-Bunz; Francesca Paradisi; Daniela Quaglia; Wojciech Streciwilk; Matthias Tacke
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	135 - 144
a	12.1787 ± 0.0001 Å
b	8.77455 ± 0.00007 Å
c	25.4346 ± 0.0002 Å
α	90°
β	98.4644 ± 0.0008°
γ	90°
Cell volume	2688.4 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512879.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512879.cif
91040	2013-12-03	cif/ Adding structures of 1512879 via cif-deposit CGI script.	1512879.cif