Crystallography Open Database

Information card for entry 7112735

Preview

Coordinates	7112735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H26 Cl2 N2 O3 Pt S2
Calculated formula	C14 H26 Cl2 N2 O3 Pt S2
SMILES	[Pt]([S](C)(C)=O)(Cl)(Cl)[NH2]CCCNS(=O)(=O)c1c(cc(cc1C)C)C
Title of publication	Novel N-sulfonamide trans-platinum complexes: synthesis, reactivity and in vitro evaluation
Authors of publication	Alemán, José; del Solar, Virginia; Alvarez-Valdés, Amparo; Ríos-Luci, Carla; Padrón, José M.; Navarro-Ranninger, Carmen
Journal of publication	MedChemComm
Year of publication	2011
Journal volume	2
Journal issue	8
Pages of publication	789
a	7.9973 ± 0.0004 Å
b	10.8873 ± 0.0006 Å
c	11.5879 ± 0.0006 Å
α	95.196 ± 0.003°
β	98.091 ± 0.003°
γ	90.511 ± 0.003°
Cell volume	994.56 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0138
Residual factor for significantly intense reflections	0.0126
Weighted residual factors for significantly intense reflections	0.0307
Weighted residual factors for all reflections included in the refinement	0.0311
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112735.cif
111975	2014-04-28	cif/ Adding structures of 7112735 via cif-deposit CGI script.	7112735.cif