Information card for entry 7006972

Structure parameters

• Formula: C56 H63 B N4 Pd2 S
• Calculated formula: C56 H63 B N4 Pd2 S
• SMILES: [Pd]12([S]3[Pd]4([N](CC[N]4(C)C)=Cc4cc(cc(C=[N]1CC[N]2(C)C)c34)C(C)(C)C)c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and characterization of dinuclear Pd(II) complexes of binucleating tetraaza-thiophenolate ligands.
• Authors of publication: Siedle, Gabriel; Kersting, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2114 - 2126
• a: 12.375 ± 0.002 Å
• b: 13.557 ± 0.003 Å
• c: 17.31 ± 0.003 Å
• α: 74.396 ± 0.003°
• β: 78.886 ± 0.003°
• γ: 62.886 ± 0.003°
• Cell volume: 2481.3 ± 0.8 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No