Information card for entry 7007744

Structure parameters

• Formula: C40 H28 F6 O4 P2 Pd2
• Calculated formula: C40 H28 F6 O4 P2 Pd2
• SMILES: [Pd]123[O]=C(O[Pd]([P](c4c2cccc4)(c2ccccc2)c2ccccc2)([O]=C(O3)C(F)(F)F)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)C(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: 12.315 ± 0.003 Å
• b: 21.427 ± 0.006 Å
• c: 14.53 ± 0.004 Å
• α: 90°
• β: 94.822 ± 0.007°
• γ: 90°
• Cell volume: 3820.5 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No