Information card for entry 7007748

Structure parameters

• Formula: C40 H20 F14 O4 P2 Pd2
• Calculated formula: C40 H20 F14 O4 P2 Pd2
• SMILES: c12c(c(F)c(c(c2[P](c2ccccc2)(c2ccccc2)[Pd]234[Pd]1([O]=C(C(F)(F)F)O3)(OC(C(F)(F)F)=[O]2)[P](c1ccccc1)(c1c4c(c(c(c1F)F)F)F)c1ccccc1)F)F)F
• Title of publication: Dinuclear palladium(II) compounds with bridging cyclometalated phosphines. Synthesis, crystal structure and electrochemical study.
• Authors of publication: Koshevoy, Igor O.; Lahuerta, Pascual; Sanaú, Mercedes; Ubeda, M. Angeles; Doménech, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5536 - 5541
• a: 18.5977 ± 0.0017 Å
• b: 10.4861 ± 0.001 Å
• c: 19.4574 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3794.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No