Information card for entry 2230305

Structure parameters

• Chemical name: [μ-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido- κ^2^<i>N</i>,<i>C</i>^2^:κ^2^<i>C</i>^2^,<i>N</i>']bis[(1,3- diphenylpropane-1,3-dionato- κ^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>—<i>Pd</i>)
• Formula: C43 H30 N2 O6 Pd2
• Calculated formula: C43 H30 N2 O6 Pd2
• SMILES: [Pd]12(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)[n]1ccccc1C(=O)C23C(=O)c1[n](cccc1)[Pd]13OC(=CC(=[O]1)c1ccccc1)c1ccccc1
• Title of publication: [μ-1,3-Dioxo-1,3-bis(pyridin-2-yl)propane-2,2-diido-κ^2^<i>N</i>,<i>C</i>^2^:κ^2^<i>C</i>^2^,<i>N</i>']bis[(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')palladium(II)](<i>Pd</i>—<i>Pd</i>)
• Authors of publication: Maggini, Simona; White, Peter S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m749 - m750
• a: 15.2535 ± 0.0005 Å
• b: 10.6912 ± 0.0004 Å
• c: 20.9236 ± 0.0007 Å
• α: 90°
• β: 96.498 ± 0.002°
• γ: 90°
• Cell volume: 3390.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes