Crystallography Open Database

Information card for entry 4039017

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Coordinates	4039017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 Cl2 N3 Pt S
Calculated formula	C6 H7 Cl2 N3 Pt S
Title of publication	Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines
Authors of publication	Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente
Journal of publication	Journal of Inorganic Biochemistry
Year of publication	2022
Journal volume	227
Pages of publication	111688
a	16.2764 ± 0.0015 Å
b	6.7492 ± 0.0006 Å
c	8.8152 ± 0.0008 Å
α	90°
β	95.47 ± 0.002°
γ	90°
Cell volume	963.96 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
280917 (current)	2023-02-15	cif/ Adding structures of 4039017 via cif-deposit CGI script.	4039017.cif