Information card for entry 4070851

Structure parameters

• Formula: C36 H36 N6 O14 Pd
• Calculated formula: C36 H36 N6 O14 Pd
• SMILES: [Pd](C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(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
• Title of publication: Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg
• Authors of publication: Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1582
• a: 21.156 ± 0.0009 Å
• b: 11.2128 ± 0.0005 Å
• c: 16.2406 ± 0.0007 Å
• α: 90°
• β: 92.797 ± 0.002°
• γ: 90°
• Cell volume: 3848 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No