Information card for entry 2243034

Structure parameters

• Chemical name: Dichlorido({6,6'-[(ethane-1,2-diylbis(methylazanediyl)]bis(methylene)}bis(2,4-di-<i>tert</i>-butylphenol))palladium(II) chlorido(2,4-di-<i>tert</i>-butyl-6-{[(2-{[(3,5-di-<i>tert</i>-butyl-2-hydroxyphenyl)methyl](methyl)amino}ethyl)(methyl)amino]methyl}phenolato)palladium(II) methanol 1.685-solvate 0.315-hydrate
• Formula: C69.68 H118.37 Cl3 N4 O6 Pd2
• Calculated formula: C69.685 H118.37 Cl3 N4 O6 Pd2
• Title of publication: Palladium(II) complexes of a bridging amine bis(phenolate) ligand featuring κ^2^ and κ^3^ coordination modes
• Authors of publication: Graziano, Brendan J.; Wile, Bradley M.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1265 - 1269
• a: 15.8843 ± 0.0005 Å
• b: 29.78 ± 0.001 Å
• c: 16.6629 ± 0.0006 Å
• α: 90°
• β: 109.554 ± 0.0012°
• γ: 90°
• Cell volume: 7427.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes