Crystallography Open Database

Information card for entry 7243191

Preview

Coordinates	7243191.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(E)-2-(1-hexyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine]palladium dichloride
Formula	C19 H22 Cl2 N6 Pd
Calculated formula	C19 H22 Cl2 N6 Pd
SMILES	[Pd]1(Cl)(Cl)[N]2=NN(C=C2c2ccc(c[n]12)/N=N/c1ccccc1)CCCCCC
Title of publication	A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction
Authors of publication	Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	38
Pages of publication	23419 - 23429
a	12.883 ± 0.0007 Å
b	8.8827 ± 0.0004 Å
c	9.6095 ± 0.0005 Å
α	90°
β	110.352 ± 0.008°
γ	90°
Cell volume	1031.02 ± 0.1 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0374
Weighted residual factors for all reflections included in the refinement	0.0375
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267455 (current)	2021-07-10	cif/ Adding structures of 7243191, 7243192 via cif-deposit CGI script.	7243191.cif