Crystallography Open Database

Information card for entry 4335115

Preview

Coordinates	4335115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 Cl3 N5 P Pd0.5 S
Calculated formula	C13 H20 Cl3 N5 P Pd0.5 S
Title of publication	trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines
Authors of publication	Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6635 - 6647
a	12.0822 ± 0.0011 Å
b	12.721 ± 0.0012 Å
c	12.1166 ± 0.0011 Å
α	90°
β	96.966 ± 0.001°
γ	90°
Cell volume	1848.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.048
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335115.cif
101020	2014-02-10	cif/ Adding structures of 4335115 via cif-deposit CGI script.	4335115.cif