Crystallography Open Database

Information card for entry 4335475

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Coordinates	4335475.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(OC-6-54)-Dichlorido(N,N-dimethylethane-1,2-diamine)hydroxido[(2E)-3- phenylprop-2-enoato]platinum(IV)
Formula	C22 H26 Cl2 N2 O4 Pt
Calculated formula	C22 H26 Cl2 N2 O4 Pt
SMILES	[Pt]1(Cl)(Cl)(OC(=O)/C=C/c2ccccc2)(OC(=O)/C=C/c2ccccc2)[NH2]CC[N]1(C)C
Title of publication	Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes
Authors of publication	Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8151 - 8162
a	7.8654 ± 0.0006 Å
b	12.8074 ± 0.0011 Å
c	13.3055 ± 0.0012 Å
α	65.149 ± 0.004°
β	72.991 ± 0.004°
γ	85.489 ± 0.004°
Cell volume	1161.51 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335475.cif
101405	2014-02-13	cif/ Adding structures of 4335475 via cif-deposit CGI script.	4335475.cif