Crystallography Open Database

Information card for entry 1574936

Preview

Coordinates	1574936.cif
Original IUCr paper	HTML

Structure parameters

Common name	5,5-Bis{<i>N</i>-(4-pyridyl)methylcarbamoyl}-2,2-bipyridine bis[hexafluoridophosphate(V)] acetonitrile disolvate
Chemical name	4,4'-{[(2,2'-Bipyridine)-5,5'-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate
Formula	C28 H28 F12 N8 O2 P2
Calculated formula	C28 H28 F11.9952 N8 O2 P2
Title of publication	4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate
Authors of publication	Sueyoshi, Fumika; Sakai, Ken
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250517
a	7.7661 ± 0.0002 Å
b	8.1535 ± 0.0003 Å
c	13.3262 ± 0.0005 Å
α	93.392 ± 0.003°
β	102.488 ± 0.003°
γ	95.435 ± 0.003°
Cell volume	817.4 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0642
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574936.cif
300233	2025-06-26	cif/ Adding structures of 1574936 via cif-deposit CGI script.	1574936.cif