Information card for entry 4306975

Structure parameters

• Formula: C51 H55 N3 O4 Pd3 S
• Calculated formula: C51 H55 N3 O4 Pd3 S
• SMILES: [Pd]12([OH]3[Pd]4([S]1[Pd]13[N](=Cc3c1cc(OCC)cc3)c1ccc(cc1)CC)[N](=Cc1c4cc(OCC)cc1)c1ccc(cc1)CC)[N](=Cc1c2cc(OCC)cc1)c1ccc(cc1)CC
• Title of publication: Genuine Examples of Tetrahedral Tetradentate Sulfide Ligand Bridging Four Pd Atoms: Controlled Formation of [(μ4-S){(μ2-X)Pd2(C^N)2}2] (X = OH or Cl; HC^N =p-C2H5OC6H4CHNC6H4-p-C2H5) Complexes
• Authors of publication: Rut Benavente; Pablo Espinet; José M. Martín-Álvarez; Jesús A. Miguel; Gabriel Aullón
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2035 - 2040
• a: 9.123 ± 0.004 Å
• b: 15.099 ± 0.006 Å
• c: 18.519 ± 0.007 Å
• α: 69.01 ± 0.009°
• β: 86.773 ± 0.009°
• γ: 76.679 ± 0.009°
• Cell volume: 2316.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No