Crystallography Open Database

Information card for entry 2023586

2023585 << 2023586 >> 2023587

Preview

Coordinates	2023586.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dibromidobis[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-ylidene]palladium(II)
Formula	C22 H28 Br2 N8 Pd
Calculated formula	C21.9992 H27.9982 Br2 N7.9998 Pd
Title of publication	Synthesis and crystal structure of dibromidobis[1-butyl-4-(pyridin-2-yl)-1,2,4-triazol-5-ylidene]palladium(II)
Authors of publication	Kovacevic, Anes; Parkin, Sean
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	11
a	8.1911 ± 0.0002 Å
b	14.9855 ± 0.0003 Å
c	10.2521 ± 0.0003 Å
α	90°
β	90.73 ± 0.001°
γ	90°
Cell volume	1258.32 ± 0.05 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
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	0.0361
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0474
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306938 (current)	2026-10-02	cif/ Adding structures of 2023586 via cif-deposit CGI script.	2023586.cif