Information card for entry 7004929

Structure parameters

• Formula: C42 H47 Cl3 N2 O5 P2 Pd2 S
• Calculated formula: C42 H47 Cl3 N2 O5 P2 Pd2 S
• SMILES: [Pd]12([S]3[Pd]4([P](CC[N]4=Cc4c3c(C=[N]2CC[P]1(c1ccccc1)c1ccccc1)cc(c4)C(C)(C)C)(c1ccccc1)c1ccccc1)Cl)Cl.Cl(=O)(=O)(=O)[O-].OCC
• Title of publication: Coordination chemistry of dinucleating P2N2S ligands: preparation and characterization of cationic palladium complexes.
• Authors of publication: Siedle, Gabriel; Lassahn, Paul-Gerhard; Lozan, Vasile; Janiak, Christoph; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 52 - 61
• a: 18.566 ± 0.004 Å
• b: 15.313 ± 0.003 Å
• c: 16.854 ± 0.003 Å
• α: 90°
• β: 116.03 ± 0.03°
• γ: 90°
• Cell volume: 4305.6 ± 1.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No