Information card for entry 7028452

Structure parameters

• Formula: C52 H42 N4 P2 Pd2 S2
• Calculated formula: C52 H42 N4 P2 Pd2 S2
• SMILES: [Pd]1234Sc5n(C)c6ccccc6[n]5[Pd]2([P](c2c4cccc2)(c2ccccc2)c2ccccc2)(Sc2[n]3c3c(n2C)cccc3)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: 10.47 ± 0.0004 Å
• b: 11.102 ± 0.0004 Å
• c: 20.326 ± 0.0006 Å
• α: 104.668 ± 0.0019°
• β: 90.245 ± 0.0018°
• γ: 97.277 ± 0.0015°
• Cell volume: 2265.61 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No