Crystallography Open Database

Information card for entry 2243987

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Structure parameters

Chemical name	Bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)
Formula	C21 H12 Ag F7 N4 O3 S
Calculated formula	C21 H12 Ag F7 N4 O3 S
SMILES	[Ag](OS(=O)(=O)C(F)(F)F)([n]1c(c2ccc(F)nc2F)cccc1)[n]1c(c2ccc(F)nc2F)cccc1
Title of publication	Synthesis, crystal structure and photophysical properties of bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)
Authors of publication	Moon, Suk-Hee; Paek, Sanghyun; Kang, Youngjin
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	12
Pages of publication	1224 - 1228
a	9.0627 ± 0.0002 Å
b	10.9637 ± 0.0003 Å
c	12.5727 ± 0.0003 Å
α	82.4508 ± 0.0011°
β	73.7215 ± 0.0011°
γ	71.549 ± 0.0011°
Cell volume	1136.26 ± 0.05 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
271906 (current)	2022-01-07	cif/ hkl/ Adding structures of 2243987 via cif-deposit CGI script.	2243987.cif 2243987.hkl