Crystallography Open Database

Information card for entry 2023118

2023117 << 2023118 >> 2023119

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Coordinates	2023118.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{2-[5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate
Formula	C40 H34 F12 N8 O14 Pd
Calculated formula	C40 H34 F12 N8 O14 Pd
Title of publication	Crystal structure of bis{2-[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate
Authors of publication	Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Bargan, Alexandra; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	6
a	8.6173 ± 0.0004 Å
b	10.6265 ± 0.0006 Å
c	13.1312 ± 0.0004 Å
α	93.384 ± 0.004°
β	98.121 ± 0.003°
γ	94.09 ± 0.004°
Cell volume	1184.45 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0466
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
291492 (current)	2024-05-04	cif/ Adding structures of 2023118 via cif-deposit CGI script.	2023118.cif