Information card for entry 2230058

Structure parameters

• Chemical name: <i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate
• Formula: C14 H24 B2 Cl2 N2 O6 Pd S2
• Calculated formula: C14 H24 B2 Cl2 N2 O6 Pd S2
• SMILES: S(=O)(C)C.[Pd]([n]1ccc(B(O)O)cc1)([n]1ccc(B(O)O)cc1)(Cl)Cl.CS(C)=O
• Title of publication: <i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate
• Authors of publication: Duong, Adam; Wuest, James D.; Maris, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m518
• a: 6.2629 ± 0.0004 Å
• b: 8.1515 ± 0.0005 Å
• c: 11.7761 ± 0.0007 Å
• α: 80.687 ± 0.003°
• β: 82.248 ± 0.003°
• γ: 77.456 ± 0.003°
• Cell volume: 576 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes