Crystallography Open Database

Information card for entry 1512783

Preview

Coordinates	1512783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 Ag N4 O1.5
Calculated formula	C39 H45.0012 Ag N4 O1.5
SMILES	[Ag](=C1N(Cc2ccccc2)c2c(N1CCCC)cccc2)=C1N(c2ccccc2N1Cc1ccccc1)CCCC.O=C(C)C.O
Title of publication	Non-symmetrically substituted N-heterocyclic carbene-Ag(I) complexes of benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer activity and transmetallation studies
Authors of publication	Rosenani A. Haque; Mohammed Z. Ghdhayeb; Srinivasa Budagumpi; Abbas Washeel Salman; Mohamed B. Khadeer Ahamed; Amin Malik Shah Abdul Majid
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	519 - 525
a	12.3083 ± 0.0004 Å
b	13.0893 ± 0.0005 Å
c	13.5459 ± 0.0004 Å
α	115.974 ± 0.002°
β	102.26 ± 0.002°
γ	103.788 ± 0.002°
Cell volume	1775.58 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0679
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1673
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512783.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512783.cif
90868	2013-11-20	cif/ Adding structures of 1512783 via cif-deposit CGI script.	1512783.cif