Crystallography Open Database

Information card for entry 1551787

Preview

Coordinates	1551787.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Di(m-N,S-thiocyanato)-bis[(N,N-dimethylbenzylamine-C^2^,N)palladium(II)]
Formula	C20 H24 N4 Pd2 S2
Calculated formula	C20 H24 N4 Pd2 S2
SMILES	c12ccccc1C[N]([Pd]12[N]#CS[Pd]2([N]#CS1)c1ccccc1C[N]2(C)C)(C)C
Title of publication	Molecular and Crystal Structure of Di(μ-N,S-thiocyanato)-bis[(N,N-dimethylbenzylamine-C2,N)palladium(II)]
Authors of publication	MAURO, Antonio E.; NETTO, Adelino V. G.; MORO, Antonio C.; FERREIRA, Janaina G.; SANTOS, Regina H. A.; de ALMEIDA, Eduardo T.
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	65
a	9.5783 ± 0.0012 Å
b	12.323 ± 0.002 Å
c	10.279 ± 0.002 Å
α	90°
β	117.034 ± 0.014°
γ	90°
Cell volume	1080.7 ± 0.3 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation probe	x-ray
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
216399 (current)	2019-06-20	cif/ Adding structures of 1551787 via cif-deposit CGI script.	1551787.cif