Crystallography Open Database

Information card for entry 1569044

Preview

Coordinates	1569044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H18 Ag3 F18 N7 O
Calculated formula	C37 H18 Ag3 F18 N7 O
SMILES	[Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(cc4C(F)(F)F)C(F)(F)F)c(cc3C(F)(F)F)C(F)(F)F)c(cc2C(F)(F)F)C(F)(F)F.O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ncccc1
Title of publication	Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex
Authors of publication	Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.
Journal of publication	Inorganics
Year of publication	2023
Journal volume	11
Journal issue	4
Pages of publication	175
a	7.8326 ± 0.0002 Å
b	11.0556 ± 0.0002 Å
c	12.8446 ± 0.0003 Å
α	114.754 ± 0.001°
β	102.718 ± 0.001°
γ	94.914 ± 0.001°
Cell volume	965.22 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0155
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
283529 (current)	2023-05-05	cif/ Adding structures of 1569044 via cif-deposit CGI script.	1569044.cif