Crystallography Open Database

Information card for entry 7708558

Preview

Coordinates	7708558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Ag Cl N2
Calculated formula	C23 H28 Ag Cl N2
SMILES	[Ag](Cl)=C1N(c2cc(C)c(C)cc2N1Cc1c(C)c(C)cc(C)c1C)CC=C
Title of publication	Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes
Authors of publication	Üstün, Elvan; Şahin, Neslihan; Çelik, Cem; Tutar, Uğur; Özdemir, Namık; Gürbüz, Nevin; Özdemir, İsmail
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.1252 ± 0.0006 Å
b	10.6418 ± 0.0006 Å
c	11.6214 ± 0.0007 Å
α	90.879 ± 0.005°
β	104.275 ± 0.005°
γ	115.012 ± 0.004°
Cell volume	1089.49 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0319
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
269957 (current)	2021-10-15	cif/ Adding structures of 7708556, 7708557, 7708558 via cif-deposit CGI script.	7708558.cif