Information card for entry 4075607

Structure parameters

• Formula: C37 H37 Cl3 N6 O14 Pt
• Calculated formula: C37 H37 Cl3 N6 O14 Pt
• SMILES: [Pt](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#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.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: 9.9644 ± 0.0015 Å
• b: 13.156 ± 0.002 Å
• c: 17.352 ± 0.003 Å
• α: 84.802 ± 0.003°
• β: 74.979 ± 0.003°
• γ: 85.99 ± 0.003°
• Cell volume: 2185.4 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No