Information card for entry 7004930

Structure parameters

• Formula: C40 H45 Cl3 N2 O8 P2 Pd2 S
• Calculated formula: C40 H45 Cl3 N2 O8 P2 Pd2 S
• SMILES: [Pd]123[Cl][Pd]45[S]1c1c(cc(cc1C[NH]3CC[P]2(c1ccccc1)c1ccccc1)C(C)(C)C)C[NH]5CC[P]4(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 12.666 ± 0.003 Å
• b: 14.142 ± 0.003 Å
• c: 14.318 ± 0.003 Å
• α: 60.85 ± 0.03°
• β: 72.15 ± 0.03°
• γ: 81.52 ± 0.03°
• Cell volume: 2132 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No