Crystallography Open Database

Information card for entry 4075609

Preview

Coordinates	4075609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cl3 N5 O14 Pt
Calculated formula	C27 H27 N5 O14 Pt
SMILES	[Pt]1(c2c(N(=[O]1)=O)c(c(c(c2N(=O)=O)OC)OC)OC)(c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O)C#[N]c1c(cccc1C)C
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	32.917 ± 0.003 Å
b	8.544 ± 0.0008 Å
c	51.357 ± 0.005 Å
α	90°
β	104.698 ± 0.008°
γ	90°
Cell volume	13971 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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