Information card for entry 7028449

Structure parameters

• Formula: C54 H40 N2 P2 Pd2 S2
• Calculated formula: C54 H40 N2 P2 Pd2 S2
• SMILES: [Pd]1234[Pd]([P](c5c4cccc5)(c4ccccc4)c4ccccc4)(Sc4[n]3c3ccccc3cc4)([n]3c4c(ccc3S2)cccc4)c2c([P]1(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.
• Authors of publication: Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2961 - 2970
• a: 14.032 ± 0.003 Å
• b: 20.2 ± 0.004 Å
• c: 18.761 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.03°
• γ: 90°
• Cell volume: 5265.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No