Crystallography Open Database

Information card for entry 4335119

Preview

Coordinates	4335119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Cl3 N4 O P Pd0.5 S
Calculated formula	C14 H17 Cl3 N4 O 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	15.3325 ± 0.0013 Å
b	9.6087 ± 0.0008 Å
c	12.992 ± 0.0011 Å
α	90°
β	93.638 ± 0.001°
γ	90°
Cell volume	1910.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0819
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4335119.cif
101024	2014-02-10	cif/ Adding structures of 4335119 via cif-deposit CGI script.	4335119.cif