Crystallography Open Database

Information card for entry 1570968

Preview

Coordinates	1570968.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)
Formula	C24 H20 F6 N4 O8 Pd S2
Calculated formula	C24 H20 F6 N4 O8 Pd S2
SMILES	[Pd]12([n]3ccccc3c3[n]1cccc3)[n]1c(c3[n]2ccc(OC)c3)cc(OC)cc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)
Authors of publication	Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	2
Pages of publication	x240109
a	14.434 ± 0.0003 Å
b	13.9644 ± 0.0002 Å
c	14.2126 ± 0.0002 Å
α	90°
β	102.536 ± 0.0016°
γ	90°
Cell volume	2796.43 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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)	1570968.cif
289772	2024-02-09	cif/ Adding structures of 1570968 via cif-deposit CGI script.	1570968.cif