Information card for entry 2210336

Structure parameters

• Chemical name: μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)] hexafluorophosphate acetonitrile solvate
• Formula: C42 H43 F12 N5 O8 P2 Pd2
• Calculated formula: C32 H31 F12 N5 O4 P2 Pd2
• SMILES: c1cccc2c3cccc[n]3[Pd]3([n]12)OC(=C(C(=[O]3)C)C1=C(O[Pd]2([n]3c(c4[n]2cccc4)cccc3)[O]=C1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: π-Stacking of μ-3,3'-bisacetylacetonato-bis[(2,2'-bipyridine)palladium(II)] hexafluorophosphate acetonitrile solvate
• Authors of publication: Mei, Guang-Quan; Ke-Long, Huang; Huang, Hai-Ping; Li, Yi-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2368 - m2370
• a: 22.07 ± 0.004 Å
• b: 16.104 ± 0.003 Å
• c: 23.479 ± 0.005 Å
• α: 90°
• β: 109.7 ± 0.03°
• γ: 90°
• Cell volume: 7856 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes