Crystallography Open Database

Information card for entry 1552277

Preview

Coordinates	1552277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H52 N6 O2 Pt S4
Calculated formula	C26 H52 N6 O2 Pt S4
SMILES	[Pt]12([N](N=C(S1)N)=CC[C@H](CCC=C(C)C)C)SC(=N[N]2=CC[C@H](CC/C=C(C)/C)C)N.S(=O)(C)C.S(=O)(C)C
Title of publication	Cytotoxic activity of copper(ii), nickel(ii) and platinum(ii) thiosemicarbazone derivatives: interaction with DNA and the H2A histone peptide.
Authors of publication	Bisceglie, Franco; Orsoni, Nicolò; Pioli, Marianna; Bonati, Beatrice; Tarasconi, Pieralberto; Rivetti, Claudio; Amidani, Davide; Montalbano, Serena; Buschini, Annamaria; Pelosi, Giorgio
Journal of publication	Metallomics : integrated biometal science
Year of publication	2019
Journal volume	11
Journal issue	10
Pages of publication	1729 - 1742
a	6.189 Å
b	12.221 Å
c	12.196 Å
α	86.03°
β	75.35°
γ	79.55°
Cell volume	877.396 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
224650 (current)	2019-11-08	cif/ Updating files of 1552277 Original log message: Adding full bibliography for 1552277.cif.	1552277.cif
217888	2019-08-31	cif/ Adding structures of 1552277 via cif-deposit CGI script.	1552277.cif