Crystallography Open Database

Information card for entry 7043117

Preview

Coordinates	7043117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H45.5 Ag N2.5 O3 P
Calculated formula	C26 H44 Ag N2 O3 P
SMILES	C1(CCCCC1)[P](C1CCCCC1)(C1CCCCC1)[Ag]N1C(=O)NC(=O)C(C1=O)(CC)CC
Title of publication	Synthesis, structures and biomolecular interactions of new silver(I) 5,5-diethylbarbiturate complexes of monophosphines targeting Gram-positive bacteria and breast cancer cells
Authors of publication	Yilmaz, Veysel T.; Icsel, Ceyda; Batur, Jenaidullah; Aydinlik, Seyma; Cengiz, Murat; Büyükgüngör, Orhan
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.8443 ± 0.0006 Å
b	11.5236 ± 0.0006 Å
c	13.6228 ± 0.0007 Å
α	97.443 ± 0.004°
β	90.55 ± 0.004°
γ	116.452 ± 0.004°
Cell volume	1506.96 ± 0.15 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0521
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
196987 (current)	2017-05-26	cif/ Adding structures of 7043114, 7043115, 7043116, 7043117 via cif-deposit CGI script.	7043117.cif