Crystallography Open Database

Information card for entry 1512691

Preview

Coordinates	1512691.cif

Structure parameters

Formula	C13 H18 N2 O5.5 Pt
Calculated formula	C13 H15 N2 O5.5 Pt
SMILES	O=C1O[Pt]2([NH2]CCc3[n]2cccc3)OC(=O)C21CCC2.O.O
Title of publication	DNA binding studies of a series of cis-[Pt(Am)2X2] complexes (Am = inert amine, X = labile carboxylato ligand)
Authors of publication	Esther Escribano; Merce Font-Bardia; Teresa Calvet; Julia Lorenzo; Patrick Gamez; Virtudes Moreno
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	65 - 76
a	10.1 ± 0.004 Å
b	18.415 ± 0.005 Å
c	18.323 ± 0.005 Å
α	90°
β	90.03 ± 0.02°
γ	90°
Cell volume	3407.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0665
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512691.cif
132762	2015-03-04	Fixing some Z values and formulae	1512691.cif
90758	2013-11-18	cif/ Adding structures of 1512691 via cif-deposit CGI script.	1512691.cif