Information card for entry 7028451

Structure parameters

• Formula: C45 H40 Cl2 N4 P2 Pd2 S2
• Calculated formula: C45 H40 Cl2 N4 P2 Pd2 S2
• SMILES: [Pd]1234[P](c5c([Pd]2([n]2c(S1)n(C)cc2)([P](c1c4cccc1)(c1ccccc1)c1ccccc1)Sc1[n]3ccn1C)cccc5)(c1ccccc1)c1ccccc1.ClCCl
• 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: 11.015 ± 0.0004 Å
• b: 11.799 ± 0.0005 Å
• c: 18.904 ± 0.0007 Å
• α: 84.093 ± 0.0017°
• β: 74.77 ± 0.0018°
• γ: 64.974 ± 0.0019°
• Cell volume: 2147.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No