Crystallography Open Database

Information card for entry 4329602

Preview

Coordinates	4329602.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(SP-4-1)-Dichlorido((1E)-N-hydroxypropane-1-imine-kappaN)(1Z)-N- hydroxypropane-1-imine-kappaN)platinum(II)
Formula	C6 H14 Cl2 N2 O2 Pt
Calculated formula	C6 H14 Cl2 N2 O2 Pt
SMILES	[Pt](Cl)(Cl)([N](O)=CCC)[N](O)=CCC
Title of publication	Novel Oximato-Bridged Platinum(II) Di- and Trimer(s): Synthetic, Structural, and in Vitro Anticancer Activity Studies
Authors of publication	Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Alexander Roller; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7153 - 7163
a	4.3305 ± 0.0003 Å
b	10.0784 ± 0.0006 Å
c	13.16 ± 0.0007 Å
α	90°
β	98.44 ± 0.004°
γ	90°
Cell volume	568.14 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179399 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96.	4329602.cif
78659	2013-04-02	cif/ Adding structures of 4329602 via cif-deposit CGI script.	4329602.cif