Information card for entry 2009496

Structure parameters

• Chemical name: 2,2'-bipyridyl meso-oxolane-3,4-diolato(2-) palladium(II) 6.5-hydrate
• Formula: C14 H27 N2 O9.5 Pd
• Calculated formula: C14 H27 N2 O9.5 Pd
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)O[C@@H]2COC[C@@H]2O1.O.O.O.O.O.O.O
• Title of publication: Polyol metal complexes. V. Structure of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')[<i>meso</i>-oxolane-3,4-diolato(2–)-κ^2^<i>O</i>,<i>O</i>']palladium(II) 6.5-hydrate
• Authors of publication: Achternbosch, Matthias; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 175 - 178
• a: 17.723 ± 0.003 Å
• b: 15.126 ± 0.003 Å
• c: 14.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3966.5 ± 1.3 ų
• Cell temperature: 221 ± 3 K
• Ambient diffraction temperature: 221 ± 3 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.0618
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No