Information card for entry 2210726

Structure parameters

• Chemical name: μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] hexafluorophosphate acetonitrile solvate
• Formula: C36 H31 F12 N5 O4 P2 Pd2
• Calculated formula: C36 H31 F12 N5 O4 P2 Pd2
• SMILES: c1cc[n]2c3c4c(ccc13)ccc[n]4[Pd]12[O]=C(C(=C(O1)C)C1=C(O[Pd]2([n]3cccc4ccc5ccc[n]2c5c34)[O]=C1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] bis(hexafluorophosphate) acetonitrile solvate
• Authors of publication: Guang-Quan Mei; Ke-Long Huang; Hai-Ping Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2743 - m2744
• a: 22.321 ± 0.005 Å
• b: 47.887 ± 0.01 Å
• c: 15.392 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16452 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes