Information card for entry 7017291

Structure parameters

• Formula: C32 H54 Cl2 N4 O6 Pd S2
• Calculated formula: C32 H54 Cl2 N4 O6 Pd S2
• SMILES: [Pd]1([N](=C(C(=[N]1c1c(cc(S(=O)(=O)[O-])cc1C)C)C)C)c1c(cc(S(=O)(=O)[O-])cc1C)C)(Cl)Cl.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids.
• Authors of publication: Oelkers, Benjamin; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 47
• Pages of publication: 12727 - 12741
• a: 13.5983 ± 0.0005 Å
• b: 7.4017 ± 0.0003 Å
• c: 38.4451 ± 0.0014 Å
• α: 90°
• β: 90.841 ± 0.003°
• γ: 90°
• Cell volume: 3869.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No