Crystallography Open Database

Information card for entry 7055219

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Coordinates	7055219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N6 O4 Pd S2
Calculated formula	C48 H52 N6 O4 Pd S2
SMILES	O=C(C)C.C(=O)(C)C.[Pd]12([N](=Cc3c4ccccc4ccc3)N=C(Nc3ccccc3)S2)[N](=Cc2c3ccccc3ccc2)N=C(Nc2ccccc2)S1.O=C(C)C.O=C(C)C
Title of publication	In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone Complexes and the Corresponding Functionalized Chitosan Coated Magnetite Nanoparticles
Authors of publication	Spodine, Evgenia; Hernández, Wilfredo; Vaisberg, Abraham; Tobar, Mabel; Alvarez, Melisa; Manzur, Jorge; Echevarría, Yuri
Journal of publication	New J. Chem.
Year of publication	2015
a	7.957 ± 0.005 Å
b	9.112 ± 0.005 Å
c	16.833 ± 0.01 Å
α	80.061 ± 0.009°
β	80.638 ± 0.009°
γ	82.591 ± 0.009°
Cell volume	1179.7 ± 1.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0674
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
171458 (current)	2015-12-12	cif/ Adding structures of 7055219 via cif-deposit CGI script.	7055219.cif