Information card for entry 4075608

Structure parameters

• Formula: C36 H36 N6 O14 Pt
• Calculated formula: C36 H36 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
• 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: 21.1834 ± 0.0016 Å
• b: 11.2289 ± 0.0008 Å
• c: 16.2941 ± 0.0012 Å
• α: 90°
• β: 93.091 ± 0.002°
• γ: 90°
• Cell volume: 3870.2 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No