Information card for entry 4075610

Structure parameters

• Formula: C20 H20 Cl2 N4 O15 Pt
• Calculated formula: C20 H20 Cl2 N4 O15 Pt
• SMILES: [Pt]1(c2c(N(=[O]1)=O)c(c(c(c2N(=O)=O)OC)OC)OC)(C#[O])c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O.C(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: 10.5115 ± 0.0008 Å
• b: 9.5613 ± 0.0006 Å
• c: 26.9995 ± 0.0018 Å
• α: 90°
• β: 92.123 ± 0.003°
• γ: 90°
• Cell volume: 2711.7 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No