Information card for entry 7028454

Structure parameters

• Formula: C43 H44 Cl8 N8 P2 Pd2 S2
• Calculated formula: C43 H44 Cl8 N8 P2 Pd2 S2
• SMILES: [Pd]1234(SC5=[N]([Pd]3(Cl)([P](c3c4cccc3)(c3ccccc3)c3ccccc3)(SC3=[N]2NNN3C)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)NNN5C)Cl.ClCCl.ClCCl.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: 12.375 ± 0.0006 Å
• b: 13.111 ± 0.0005 Å
• c: 16.183 ± 0.0007 Å
• α: 82.393 ± 0.002°
• β: 87.808 ± 0.002°
• γ: 73.407 ± 0.003°
• Cell volume: 2494.18 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No