Crystallography Open Database

Information card for entry 1565251

Preview

Coordinates	1565251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 Ag F3 N2 O3 S
Calculated formula	C31 H22 Ag F3 N2 O3 S
SMILES	[Ag](OS(=O)(=O)C(F)(F)F)([n]1c2c(ccc1)cccc2c1ccccc1)[n]1c2c(c3ccccc3)cccc2ccc1
Title of publication	Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions
Authors of publication	Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya.; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	504
Pages of publication	119453
a	9.3352 ± 0.0002 Å
b	11.6054 ± 0.0003 Å
c	24.7715 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2683.71 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
270686 (current)	2021-11-16	cif/ Adding structures of 1565251 via cif-deposit CGI script.	1565251.cif