Crystallography Open Database

Information card for entry 1505036

Preview

Coordinates	1505036.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(OC-6-33)-Diamminebis(3-carboxypropanoato)dichloroplatinum(IV) diethyl ether solvate
Formula	C12 H26 Cl2 N2 O9 Pt
Calculated formula	C12 H26 Cl2 N2 O9 Pt
SMILES	[Pt](Cl)(Cl)(OC(=O)CCC(=O)O)(OC(=O)CCC(=O)O)([NH3])[NH3].O(CC)CC
Title of publication	Novel di- and tetracarboxylatoplatinum(IV) complexes. Synthesis, characterization, cytotoxic activity, and DNA platination.
Authors of publication	Reithofer, Michael R.; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Egger, Alexander; Galanski, Markus; Keppler, Bernhard K.
Journal of publication	Journal of medicinal chemistry
Year of publication	2007
Journal volume	50
Journal issue	26
Pages of publication	6692 - 6699
a	23.5231 ± 0.001 Å
b	10.6395 ± 0.0004 Å
c	8.1822 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2047.79 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	1505036.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505036.cif
45293	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505036 via cif-deposit CGI script.	1505036.cif