Crystallography Open Database

Information card for entry 2244098

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Structure parameters

Chemical name	Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II)
Formula	C19 H20 Cl2 N2 Pd S
Calculated formula	C19 H20 Cl2 N2 Pd S
SMILES	[Pd](Cl)(Cl)([N](=Cc1sccc1)c1ccc(cc1)C)[NH2]c1ccc(cc1)C
Title of publication	Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II)
Authors of publication	Butcher, Ray J.; Singh, Puspendra; Shabbani, Gulam
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	6
Pages of publication	1 - 0
a	9.2135 ± 0.0004 Å
b	9.406 ± 0.0004 Å
c	12.9032 ± 0.0005 Å
α	79.866 ± 0.002°
β	70 ± 0.002°
γ	67.753 ± 0.002°
Cell volume	971.17 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.085
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
275507 (current)	2022-05-18	cif/ hkl/ Adding structures of 2244098 via cif-deposit CGI script.	2244098.cif 2244098.hkl