Information card for entry 7006968

Structure parameters

• Formula: C46 H56 B N11 Pd2 S
• Calculated formula: C46 H56 B N11 Pd2 S
• SMILES: [Pd]12([S]3[Pd]4([N](=Cc5c3c(cc(c5)C(C)(C)C)C=[N]1CC[N]2(C)C)CC[N]4(C)C)N=N#N)N=N#N.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• 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: 11.646 ± 0.002 Å
• b: 19.717 ± 0.003 Å
• c: 20.203 ± 0.003 Å
• α: 90°
• β: 94.976 ± 0.003°
• γ: 90°
• Cell volume: 4621.6 ± 1.3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No