Crystallography Open Database

Information card for entry 1543042

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Structure parameters

Chemical name	Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)
Formula	C30 H42 N4 O2 Pd S4
Calculated formula	C30 H42 N4 O2 Pd S4
SMILES	[Pd]12([N](N=C(S1)SCCCCCC)=Cc1ccc(OC)cc1)SC(=N[N]2=Cc1ccc(OC)cc1)SCCCCCC
Title of publication	Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)
Authors of publication	Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	4
Pages of publication	x160521
a	4.54371 ± 0.00018 Å
b	11.6697 ± 0.0006 Å
c	15.5677 ± 0.0008 Å
α	90.8429 ± 0.0014°
β	98.1733 ± 0.0018°
γ	100.344 ± 0.0011°
Cell volume	803.11 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 significantly intense reflections	0.0214
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181861 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1.	1543042.cif 1543042.hkl
181835	2016-04-06	cif/ hkl/ Adding structures of 1543042 via cif-deposit CGI script.	1543042.cif 1543042.hkl