Crystallography Open Database

Information card for entry 4075605

Preview

Coordinates	4075605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H48.5 Cl1.5 N4 O14 P2 Pt
Calculated formula	C54.5 H48.5 Cl1.5 N4 O14 P2 Pt
SMILES	[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O)c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O.C(Cl)(Cl)Cl
Title of publication	Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†
Authors of publication	Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4247
a	12.2189 ± 0.0008 Å
b	13.1105 ± 0.001 Å
c	18.824 ± 0.0014 Å
α	88.649 ± 0.004°
β	76.049 ± 0.004°
γ	63.967 ± 0.004°
Cell volume	2617.9 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0415
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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