Information card for entry 7006970

Structure parameters

• Formula: C22 H36 Cl2 N4 O10 Pd2 S
• Calculated formula: C22 H36 Cl2 N4 O10 Pd2 S
• SMILES: [Pd]123[S]4[Pd]5([O]=C(O1)C)[N](=Cc1c4c(cc(c1)C(C)(C)C)C=[N]2CC[N]3(C)C)CC[N]5(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 11.41 ± 0.003 Å
• b: 12.245 ± 0.002 Å
• c: 22.395 ± 0.004 Å
• α: 90°
• β: 102.2 ± 0.03°
• γ: 90°
• Cell volume: 3058.3 ± 1.1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No