Crystallography Open Database

Information card for entry 2023237

2023236 << 2023237 >> 2023238

Preview

Coordinates	2023237.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κ<i>N</i>^4^)pyridine-κ<i>N</i>]palladium(II) dimethylformamide monosolvate
Formula	C15 H21 Cl2 N5 O Pd
Calculated formula	C15 H21 Cl2 N5 O Pd
SMILES	[Pd]1(Cl)(Cl)[n]2ccccc2c2n[nH]c([n]12)C1CCCC1.O=CN(C)C
Title of publication	Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN 4)pyridine-κN]palladium(II) dimethylformamide monosolvate
Authors of publication	Dyakonenko, Viktoriya V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Ivanova, Ganna V.; Lampeka, Rostyslav D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	9
a	9.3964 ± 0.0008 Å
b	20.2572 ± 0.0016 Å
c	9.9822 ± 0.0007 Å
α	90°
β	96.358 ± 0.002°
γ	90°
Cell volume	1888.4 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0724
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294161 (current)	2024-08-17	cif/ Adding structures of 2023237 via cif-deposit CGI script.	2023237.cif