Information card for entry 4075613

Structure parameters

• Formula: C38 H34 Cl3 N4 O15 P Pt
• Calculated formula: C38 H34 Cl3 N4 O15 P Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=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: 9.9072 ± 0.0008 Å
• b: 40.753 ± 0.003 Å
• c: 10.6809 ± 0.0008 Å
• α: 90°
• β: 103.874 ± 0.003°
• γ: 90°
• Cell volume: 4186.6 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No